1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide

C19H28N4O2 — CID 119509865

IUPAC1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)NCC2CCCN2)CCCC1
InChIInChI=1S/C19H28N4O2/c24-17(21-14-16-9-6-12-20-16)19(10-4-5-11-19)23-18(25)22-13-15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-14H2,(H,21,24)(H2,22,23,25)
InChIKeyYHJYVZPMZWONDJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.67
Rot. Bonds6

About 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide

1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 119509865) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID119509865
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)NCC2CCCN2)CCCC1
InChIInChI=1S/C19H28N4O2/c24-17(21-14-16-9-6-12-20-16)19(10-4-5-11-19)23-18(25)22-13-15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-14H2,(H,21,24)(H2,22,23,25)
InChIKeyYHJYVZPMZWONDJ-UHFFFAOYSA-N
XLogP1.67
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide 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

1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 120944373
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120557905
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
CID 117235618
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 91772427
1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea
CID 78844424
1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
(2R)-2-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 119364123

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide (CID 119509865) is 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide is O=C(NCc1ccccc1)NC1(C(=O)NCC2CCCN2)CCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is YHJYVZPMZWONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-17(21-14-16-9-6-12-20-16)19(10-4-5-11-19)23-18(25)22-13-15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-14H2,(H,21,24)(H2,22,23,25).
What are the key properties of 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119509865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).