[4-(cyclopentylamino)phenyl]urea

C12H17N3O — CID 43744886

IUPAC[4-(cyclopentylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NC2CCCC2)cc1
InChIInChI=1S/C12H17N3O/c13-12(16)15-11-7-5-10(6-8-11)14-9-3-1-2-4-9/h5-9,14H,1-4H2,(H3,13,15,16)
InChIKeyIZKMRUAMEDLKLQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.53
Rot. Bonds3

About [4-(cyclopentylamino)phenyl]urea

[4-(cyclopentylamino)phenyl]urea (PubChem CID 43744886) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [4-(cyclopentylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(cyclopentylamino)phenyl]urea
PubChem CID43744886
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[4-(cyclopentylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NC2CCCC2)cc1
InChIInChI=1S/C12H17N3O/c13-12(16)15-11-7-5-10(6-8-11)14-9-3-1-2-4-9/h5-9,14H,1-4H2,(H3,13,15,16)
InChIKeyIZKMRUAMEDLKLQ-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylamino)phenyl]urea
CID 103439135
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901
(4-cyclopentylphenyl)urea
CID 130193151
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
CID 64744825
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylamino)phenyl]urea?
The IUPAC name of [4-(cyclopentylamino)phenyl]urea (CID 43744886) is [4-(cyclopentylamino)phenyl]urea.
What is the SMILES notation for [4-(cyclopentylamino)phenyl]urea?
The canonical SMILES for [4-(cyclopentylamino)phenyl]urea is NC(=O)Nc1ccc(NC2CCCC2)cc1.
What is the InChIKey of [4-(cyclopentylamino)phenyl]urea?
The InChIKey is IZKMRUAMEDLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(16)15-11-7-5-10(6-8-11)14-9-3-1-2-4-9/h5-9,14H,1-4H2,(H3,13,15,16).
What are the key properties of [4-(cyclopentylamino)phenyl]urea?
[4-(cyclopentylamino)phenyl]urea has a molecular weight of 219.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylamino)phenyl]urea is sourced from PubChem (CID 43744886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).