ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate

C21H24N4O4 — CID 46700228

IUPACethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1
InChIInChI=1S/C21H24N4O4/c1-2-29-21(28)23-16-7-5-6-15(12-16)20(27)24-17-13-14(19(22)26)8-9-18(17)25-10-3-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyAJVGHKCTNLXKPD-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.21
Rot. Bonds6

About ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate

ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 46700228) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
PubChem CID46700228
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Nameethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1
InChIInChI=1S/C21H24N4O4/c1-2-29-21(28)23-16-7-5-6-15(12-16)20(27)24-17-13-14(19(22)26)8-9-18(17)25-10-3-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyAJVGHKCTNLXKPD-UHFFFAOYSA-N
XLogP3.21
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate 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

tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 55552861
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41478923
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
4-piperidin-1-yl-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]benzamide
CID 55910186
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
CID 24551621
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 17427553
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate (CID 46700228) is ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1.
What is the InChIKey of ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is AJVGHKCTNLXKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-2-29-21(28)23-16-7-5-6-15(12-16)20(27)24-17-13-14(19(22)26)8-9-18(17)25-10-3-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,26)(H,23,28)(H,24,27).
What are the key properties of ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 396.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 46700228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).