1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea

C17H27N3O — CID 60544383

IUPAC1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
SMILESCN(C)CC(Cc1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H27N3O/c1-20(2)13-16(12-14-8-4-3-5-9-14)19-17(21)18-15-10-6-7-11-15/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3,(H2,18,19,21)
InChIKeyLZPSBVNPCJMVAF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.40
Rot. Bonds6

About 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea

1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea (PubChem CID 60544383) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
PubChem CID60544383
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
SMILESCN(C)CC(Cc1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H27N3O/c1-20(2)13-16(12-14-8-4-3-5-9-14)19-17(21)18-15-10-6-7-11-15/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3,(H2,18,19,21)
InChIKeyLZPSBVNPCJMVAF-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220
1-[(2R)-1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-cyclohexylurea
CID 92865398
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936634
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119859537
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 60544381
1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 110900882

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea (CID 60544383) is 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea is CN(C)CC(Cc1ccccc1)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea?
The InChIKey is LZPSBVNPCJMVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)13-16(12-14-8-4-3-5-9-14)19-17(21)18-15-10-6-7-11-15/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea?
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea has a molecular weight of 289.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 60544383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).