N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid

C18H29NO7 — CID 174830749

IUPACN-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OCC1CO1.C=CC(=O)N(C)OCCCC.C=CC(=O)O
InChIInChI=1S/C8H15NO2.C7H10O3.C3H4O2/c1-4-6-7-11-9(3)8(10)5-2;1-5(2)7(8)10-4-6-3-9-6;1-2-3(4)5/h5H,2,4,6-7H2,1,3H3;6H,1,3-4H2,2H3;2H,1H2,(H,4,5)
InChIKeyNYWGVJOGPLEOOO-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.12
Rot. Bonds9

About N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid

N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid (PubChem CID 174830749) has the molecular formula C18H29NO7 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound NameN-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid
PubChem CID174830749
Molecular FormulaC18H29NO7
Molecular Weight371.43 g/mol
Exact Mass371.19
IUPAC NameN-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OCC1CO1.C=CC(=O)N(C)OCCCC.C=CC(=O)O
InChIInChI=1S/C8H15NO2.C7H10O3.C3H4O2/c1-4-6-7-11-9(3)8(10)5-2;1-5(2)7(8)10-4-6-3-9-6;1-2-3(4)5/h5H,2,4,6-7H2,1,3H3;6H,1,3-4H2,2H3;2H,1H2,(H,4,5)
InChIKeyNYWGVJOGPLEOOO-UHFFFAOYSA-N
XLogP2.12
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

butyl prop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87732224
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 6454134
dibutyl (Z)-but-2-enedioate;ethenyl acetate;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 6440984
butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 88777427
butyl 2-methylprop-2-enoate;ethene;oxiran-2-ylmethyl prop-2-enoate
CID 135308468
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
butyl 2-(oxiran-2-ylmethyl)prop-2-enoate;prop-2-enoic acid
CID 175434098
2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87254151
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
2-(hydroxymethyl)-2-(1-methoxyethyl)propane-1,3-diol;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174476638

Frequently Asked Questions

What is the IUPAC name of N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The IUPAC name of N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid (CID 174830749) is N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The canonical SMILES for N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid is C=C(C)C(=O)OCC1CO1.C=CC(=O)N(C)OCCCC.C=CC(=O)O.
What is the InChIKey of N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The InChIKey is NYWGVJOGPLEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C7H10O3.C3H4O2/c1-4-6-7-11-9(3)8(10)5-2;1-5(2)7(8)10-4-6-3-9-6;1-2-3(4)5/h5H,2,4,6-7H2,1,3H3;6H,1,3-4H2,2H3;2H,1H2,(H,4,5).
What are the key properties of N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid?
N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid has a molecular weight of 371.43 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-N-methylprop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 174830749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).