N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate

C67H93NO20 — CID 159354033

IUPACN-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)C(=C)C.C=C(C)C(=O)OCC1CCC2OC2C1.C=C(C)C(=O)OCCOc1ccccc1.C=CC(=O)NCOCCCC.C=CC(=O)OCCOc1ccccc1.O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C14H20O4.C12H14O3.C11H16O5.C11H16O3.C11H12O3.C8H15NO2/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10;1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11;1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4;1-7(2)11(12)13-6-8-3-4-9-10(5-8)14-9;1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-3-5-6-11-7-9-8(10)4-2/h8-13H,1-7H2;3-7H,1,8-9H2,2H3;9,12H,1,3,5-6H2,2,4H3;8-10H,1,3-6H2,2H3;2-7H,1,8-9H2;4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyLHROGZVKYZTMFP-UHFFFAOYSA-N
MW1232.47 g/mol
LogP8.97
Rot. Bonds28

About N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate

N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate (PubChem CID 159354033) has the molecular formula C67H93NO20 and a molecular weight of 1232.47 g/mol. Its IUPAC name is N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate.

Molecular Properties

Compound NameN-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
PubChem CID159354033
Molecular FormulaC67H93NO20
Molecular Weight1232.47 g/mol
Exact Mass1231.63
IUPAC NameN-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)C(=C)C.C=C(C)C(=O)OCC1CCC2OC2C1.C=C(C)C(=O)OCCOc1ccccc1.C=CC(=O)NCOCCCC.C=CC(=O)OCCOc1ccccc1.O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C14H20O4.C12H14O3.C11H16O5.C11H16O3.C11H12O3.C8H15NO2/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10;1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11;1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4;1-7(2)11(12)13-6-8-3-4-9-10(5-8)14-9;1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-3-5-6-11-7-9-8(10)4-2/h8-13H,1-7H2;3-7H,1,8-9H2,2H3;9,12H,1,3,5-6H2,2,4H3;8-10H,1,3-6H2,2H3;2-7H,1,8-9H2;4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyLHROGZVKYZTMFP-UHFFFAOYSA-N
XLogP8.97
TPSA272.41 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001232.47
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
CID 66750102
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
CID 160642606
[2-hydroxy-3-[[4-[(2-hydroxy-3-phenoxypropoxy)methyl]cyclohexyl]methoxy]propyl] 2-methylprop-2-enoate
CID 67511890
4-hydroxybutyl 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) prop-2-enoate
CID 160827387
[(3R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (3S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 166762136
2-[[3-[[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate;[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methylcarbamoyloxy]propyl] prop-2-enoate;bis(2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate);2-[[3-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate;2-[[3-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate
CID 157166319
N-(butoxymethyl)prop-2-enamide;2-methylprop-2-enoic acid;prop-2-enoyl prop-2-enoate
CID 174374068
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl] 4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 167376051
furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 67127109
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;bis(3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane)
CID 158857090
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate;butyl 2-methylprop-2-enoate
CID 67726276

Frequently Asked Questions

What is the IUPAC name of N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate?
The IUPAC name of N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate (CID 159354033) is N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate.
What is the SMILES notation for N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate?
The canonical SMILES for N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate is C=C(C)C(=O)OCC(O)COC(=O)C(=C)C.C=C(C)C(=O)OCC1CCC2OC2C1.C=C(C)C(=O)OCCOc1ccccc1.C=CC(=O)NCOCCCC.C=CC(=O)OCCOc1ccccc1.O=C(OCC1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate?
The InChIKey is LHROGZVKYZTMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4.C12H14O3.C11H16O5.C11H16O3.C11H12O3.C8H15NO2/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10;1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11;1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4;1-7(2)11(12)13-6-8-3-4-9-10(5-8)14-9;1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-3-5-6-11-7-9-8(10)4-2/h8-13H,1-7H2;3-7H,1,8-9H2,2H3;9,12H,1,3,5-6H2,2,4H3;8-10H,1,3-6H2,2H3;2-7H,1,8-9H2;4H,2-3,5-7H2,1H3,(H,9,10).
What are the key properties of N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate?
N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate has a molecular weight of 1232.47 g/mol, XLogP of 8.97, 28 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)prop-2-enamide;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate is sourced from PubChem (CID 159354033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).