1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea

C13H17N3O3 — CID 46494092

IUPAC1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
SMILESO=C(NCC1CCCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O3/c17-13(14-9-10-3-1-2-4-10)15-11-5-7-12(8-6-11)16(18)19/h5-8,10H,1-4,9H2,(H2,14,15,17)
InChIKeyONACZIXOKLIMLX-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.91
Rot. Bonds4

About 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea

1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea (PubChem CID 46494092) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
PubChem CID46494092
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
SMILESO=C(NCC1CCCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O3/c17-13(14-9-10-3-1-2-4-10)15-11-5-7-12(8-6-11)16(18)19/h5-8,10H,1-4,9H2,(H2,14,15,17)
InChIKeyONACZIXOKLIMLX-UHFFFAOYSA-N
XLogP2.91
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclopentylmethyl)-3-(4-nitrophenyl)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

1-(cyclohexylmethyl)-3-(3-nitrophenyl)urea
CID 31772081
1-(4-cyclohexylbutyl)-3-(4-nitrophenyl)urea
CID 141077203
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
[2-(4-nitroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020396
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
1-[3-(cyclopropylamino)propyl]-3-(4-nitrophenyl)urea
CID 43596866
1-(4-nitrophenyl)-3-[2-[2-[2-[2-[(4-nitrophenyl)carbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]urea
CID 21205277
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
1-(dicyclohexylmethyl)-3-(4-nitrophenyl)urea
CID 67647172

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea (CID 46494092) is 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea is O=C(NCC1CCCC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea?
The InChIKey is ONACZIXOKLIMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(14-9-10-3-1-2-4-10)15-11-5-7-12(8-6-11)16(18)19/h5-8,10H,1-4,9H2,(H2,14,15,17).
What are the key properties of 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea?
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea has a molecular weight of 263.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 46494092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).