2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate

C16H24N2O7 — CID 88559321

IUPAC2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(CCOC(=O)C(=C)C)C(=O)OCC
InChIInChI=1S/C16H24N2O7/c1-6-23-16(22)18(8-10-25-14(20)12(4)5)15(21)17-7-9-24-13(19)11(2)3/h2,4,6-10H2,1,3,5H3,(H,17,21)
InChIKeyFAKDDDXYBHCAKS-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.39
Rot. Bonds9

About 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate

2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 88559321) has the molecular formula C16H24N2O7 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID88559321
Molecular FormulaC16H24N2O7
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(CCOC(=O)C(=C)C)C(=O)OCC
InChIInChI=1S/C16H24N2O7/c1-6-23-16(22)18(8-10-25-14(20)12(4)5)15(21)17-7-9-24-13(19)11(2)3/h2,4,6-10H2,1,3,5H3,(H,17,21)
InChIKeyFAKDDDXYBHCAKS-UHFFFAOYSA-N
XLogP1.39
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 160699665
2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate
CID 139632024
2-[2-[ethyl(methyl)amino]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 174995899
2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
CID 90326945
ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
CID 108895300
2-[bis(1-hydroxy-1-iodopropyl)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 88665635
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
bis([3-[ethyl-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]amino]-3-oxopropyl] 2-methylprop-2-enoate);tricyclo[5.2.1.02,6]decane
CID 161381321
2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
CID 54523136
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate (CID 88559321) is 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N(CCOC(=O)C(=C)C)C(=O)OCC.
What is the InChIKey of 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is FAKDDDXYBHCAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O7/c1-6-23-16(22)18(8-10-25-14(20)12(4)5)15(21)17-7-9-24-13(19)11(2)3/h2,4,6-10H2,1,3,5H3,(H,17,21).
What are the key properties of 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate?
2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 356.38 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88559321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).