1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea

C19H23N5O3 — CID 78844424

IUPAC1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea
SMILESO=C(NCc1ccccc1)NC1(C(=O)NNC(=O)c2ccc[nH]2)CCCC1
InChIInChI=1S/C19H23N5O3/c25-16(15-9-6-12-20-15)23-24-17(26)19(10-4-5-11-19)22-18(27)21-13-14-7-2-1-3-8-14/h1-3,6-9,12,20H,4-5,10-11,13H2,(H,23,25)(H,24,26)(H2,21,22,27)
InChIKeyUQPXBOLKQXTQST-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.59
Rot. Bonds5

About 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea

1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea (PubChem CID 78844424) has the molecular formula C19H23N5O3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea
PubChem CID78844424
Molecular FormulaC19H23N5O3
Molecular Weight369.42 g/mol
Exact Mass369.18
IUPAC Name1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea
SMILESO=C(NCc1ccccc1)NC1(C(=O)NNC(=O)c2ccc[nH]2)CCCC1
InChIInChI=1S/C19H23N5O3/c25-16(15-9-6-12-20-15)23-24-17(26)19(10-4-5-11-19)22-18(27)21-13-14-7-2-1-3-8-14/h1-3,6-9,12,20H,4-5,10-11,13H2,(H,23,25)(H,24,26)(H2,21,22,27)
InChIKeyUQPXBOLKQXTQST-UHFFFAOYSA-N
XLogP1.59
TPSA115.12 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea 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

(2R)-2-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 119364123
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 120944373
N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane
CID 143504752
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 46537087
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 110480990
1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120557905
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylbenzoic acid
CID 119219361

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea?
The IUPAC name of 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea (CID 78844424) is 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea is O=C(NCc1ccccc1)NC1(C(=O)NNC(=O)c2ccc[nH]2)CCCC1.
What is the InChIKey of 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea?
The InChIKey is UQPXBOLKQXTQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-16(15-9-6-12-20-15)23-24-17(26)19(10-4-5-11-19)22-18(27)21-13-14-7-2-1-3-8-14/h1-3,6-9,12,20H,4-5,10-11,13H2,(H,23,25)(H,24,26)(H2,21,22,27).
What are the key properties of 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea?
1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea has a molecular weight of 369.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea is sourced from PubChem (CID 78844424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).