1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea

C14H21N3O — CID 64501930

IUPAC1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NC2CCC(C)C2)cc1
InChIInChI=1S/C14H21N3O/c1-10-3-4-13(9-10)16-11-5-7-12(8-6-11)17-14(18)15-2/h5-8,10,13,16H,3-4,9H2,1-2H3,(H2,15,17,18)
InChIKeyLKNMGGCYFDFCCY-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.04
Rot. Bonds3

About 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea

1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea (PubChem CID 64501930) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea
PubChem CID64501930
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NC2CCC(C)C2)cc1
InChIInChI=1S/C14H21N3O/c1-10-3-4-13(9-10)16-11-5-7-12(8-6-11)17-14(18)15-2/h5-8,10,13,16H,3-4,9H2,1-2H3,(H2,15,17,18)
InChIKeyLKNMGGCYFDFCCY-UHFFFAOYSA-N
XLogP3.04
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea
CID 80560889
1-methyl-3-[4-[(5-methylthiolan-3-yl)amino]phenyl]urea
CID 79942286
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
4-bromo-N-(3-methylcyclopentyl)aniline
CID 64501647
N-[4-[(3-methylcyclobutyl)amino]phenyl]cyclopropanecarboxamide
CID 104860025
1-[4-(azepan-4-ylamino)phenyl]-3-methylurea
CID 103981461
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
CID 114539712
1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea
CID 64761262
1-(3-methylcyclopentyl)-3-(4-nitrophenyl)urea
CID 114552539
[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
CID 64744825
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea?
The IUPAC name of 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea (CID 64501930) is 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea is CNC(=O)Nc1ccc(NC2CCC(C)C2)cc1.
What is the InChIKey of 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea?
The InChIKey is LKNMGGCYFDFCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-3-4-13(9-10)16-11-5-7-12(8-6-11)17-14(18)15-2/h5-8,10,13,16H,3-4,9H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea?
1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea has a molecular weight of 247.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea is sourced from PubChem (CID 64501930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).