1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea

C18H29N3O2 — CID 111103915

IUPAC1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCN(C)C(CNC(=O)NCC1(O)CCCC1)Cc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-21(2)16(12-15-8-4-3-5-9-15)13-19-17(22)20-14-18(23)10-6-7-11-18/h3-5,8-9,16,23H,6-7,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyJVMQNFZIQHLVBK-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.76
Rot. Bonds7

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

1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103915) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103915
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCN(C)C(CNC(=O)NCC1(O)CCCC1)Cc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-21(2)16(12-15-8-4-3-5-9-15)13-19-17(22)20-14-18(23)10-6-7-11-18/h3-5,8-9,16,23H,6-7,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyJVMQNFZIQHLVBK-UHFFFAOYSA-N
XLogP1.76
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 166180346
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936634
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
1-[2-(dimethylamino)-3-phenylpropyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78832463
1-[[[N-[2-(dimethylamino)-3-phenylpropyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570773
1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 78879514
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 175120316
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103915) is 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea is CN(C)C(CNC(=O)NCC1(O)CCCC1)Cc1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is JVMQNFZIQHLVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-21(2)16(12-15-8-4-3-5-9-15)13-19-17(22)20-14-18(23)10-6-7-11-18/h3-5,8-9,16,23H,6-7,10-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 319.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).