[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea

C15H23N3O — CID 106662193

IUPAC[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
SMILESCC1CC(C)(C)CC1Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H23N3O/c1-10-8-15(2,3)9-13(10)17-11-4-6-12(7-5-11)18-14(16)19/h4-7,10,13,17H,8-9H2,1-3H3,(H3,16,18,19)
InChIKeyRXRIAWBSZUXHSP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.41
Rot. Bonds3

About [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea

[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea (PubChem CID 106662193) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea.

Molecular Properties

Compound Name[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
PubChem CID106662193
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
SMILESCC1CC(C)(C)CC1Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H23N3O/c1-10-8-15(2,3)9-13(10)17-11-4-6-12(7-5-11)18-14(16)19/h4-7,10,13,17H,8-9H2,1-3H3,(H3,16,18,19)
InChIKeyRXRIAWBSZUXHSP-UHFFFAOYSA-N
XLogP3.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-methylthiolan-3-yl)amino]phenyl]urea
CID 114285169
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661610
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
CID 79927779
[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
CID 64744825
5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione
CID 106661628
4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661973
[4-(cyclopropylamino)phenyl]urea
CID 103439135
3-iodo-4-methyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662008
[4-(cyclopentylamino)phenyl]urea
CID 43744886
N,N-dimethyl-4-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81302611
3,4,5-trifluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662480

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea?
The IUPAC name of [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea (CID 106662193) is [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea.
What is the SMILES notation for [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea?
The canonical SMILES for [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea is CC1CC(C)(C)CC1Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea?
The InChIKey is RXRIAWBSZUXHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-8-15(2,3)9-13(10)17-11-4-6-12(7-5-11)18-14(16)19/h4-7,10,13,17H,8-9H2,1-3H3,(H3,16,18,19).
What are the key properties of [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea?
[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea has a molecular weight of 261.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea is sourced from PubChem (CID 106662193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).