benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate

C21H24N2O4 — CID 60596354

IUPACbenzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
SMILESCOc1ccc(CN(C(=O)CNC(=O)OCc2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-19-11-7-16(8-12-19)14-23(18-9-10-18)20(24)13-22-21(25)27-15-17-5-3-2-4-6-17/h2-8,11-12,18H,9-10,13-15H2,1H3,(H,22,25)
InChIKeyUGXJEXGRLGBEFO-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.11
Rot. Bonds8

About benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate (PubChem CID 60596354) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
PubChem CID60596354
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namebenzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
SMILESCOc1ccc(CN(C(=O)CNC(=O)OCc2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-19-11-7-16(8-12-19)14-23(18-9-10-18)20(24)13-22-21(25)27-15-17-5-3-2-4-6-17/h2-8,11-12,18H,9-10,13-15H2,1H3,(H,22,25)
InChIKeyUGXJEXGRLGBEFO-UHFFFAOYSA-N
XLogP3.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 75462168
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
methyl 2-[amino-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
CID 165342996
5-(carbamoylamino)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 31449017
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 55387919
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate (CID 60596354) is benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate is COc1ccc(CN(C(=O)CNC(=O)OCc2ccccc2)C2CC2)cc1.
What is the InChIKey of benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate?
The InChIKey is UGXJEXGRLGBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-19-11-7-16(8-12-19)14-23(18-9-10-18)20(24)13-22-21(25)27-15-17-5-3-2-4-6-17/h2-8,11-12,18H,9-10,13-15H2,1H3,(H,22,25).
What are the key properties of benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate has a molecular weight of 368.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 60596354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).