1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea

C18H29N3O — CID 166180346

IUPAC1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
SMILESCN(C)C(CNC(=O)NCC1CCCC1)Cc1ccccc1
InChIInChI=1S/C18H29N3O/c1-21(2)17(12-15-8-4-3-5-9-15)14-20-18(22)19-13-16-10-6-7-11-16/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyJXLICMWOUNIGKO-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.65
Rot. Bonds7

About 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea

1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea (PubChem CID 166180346) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
PubChem CID166180346
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
SMILESCN(C)C(CNC(=O)NCC1CCCC1)Cc1ccccc1
InChIInChI=1S/C18H29N3O/c1-21(2)17(12-15-8-4-3-5-9-15)14-20-18(22)19-13-16-10-6-7-11-16/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyJXLICMWOUNIGKO-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 175120316
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
CID 24640003
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine
CID 110991673
1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 78879514
1-[2-(dimethylamino)-3-phenylpropyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78832463
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 78879846
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea (CID 166180346) is 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea is CN(C)C(CNC(=O)NCC1CCCC1)Cc1ccccc1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The InChIKey is JXLICMWOUNIGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-21(2)17(12-15-8-4-3-5-9-15)14-20-18(22)19-13-16-10-6-7-11-16/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea?
1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea has a molecular weight of 303.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea is sourced from PubChem (CID 166180346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).