1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea

C15H23N3O — CID 116656999

IUPAC1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
SMILESCc1ccc(NC(=O)NC2CCCC2)cc1N(C)C
InChIInChI=1S/C15H23N3O/c1-11-8-9-13(10-14(11)18(2)3)17-15(19)16-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H2,16,17,19)
InChIKeyJIRQQFLOXBEMBR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds3

About 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea

1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea (PubChem CID 116656999) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
PubChem CID116656999
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
SMILESCc1ccc(NC(=O)NC2CCCC2)cc1N(C)C
InChIInChI=1S/C15H23N3O/c1-11-8-9-13(10-14(11)18(2)3)17-15(19)16-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H2,16,17,19)
InChIKeyJIRQQFLOXBEMBR-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
2-amino-2-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 115377371
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983941
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
CID 104963718
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea (CID 116656999) is 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea is Cc1ccc(NC(=O)NC2CCCC2)cc1N(C)C.
What is the InChIKey of 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea?
The InChIKey is JIRQQFLOXBEMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-9-13(10-14(11)18(2)3)17-15(19)16-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea?
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea has a molecular weight of 261.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea is sourced from PubChem (CID 116656999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).