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

C19H31N3O2 — CID 110936634

IUPAC1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCN(C)CC(Cc1ccccc1)NC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C19H31N3O2/c1-22(2)14-17(13-16-9-5-3-6-10-16)21-18(23)20-15-19(24)11-7-4-8-12-19/h3,5-6,9-10,17,24H,4,7-8,11-15H2,1-2H3,(H2,20,21,23)
InChIKeyLUFHXWXLSXAUOV-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.15
Rot. Bonds7

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

1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 110936634) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID110936634
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCN(C)CC(Cc1ccccc1)NC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C19H31N3O2/c1-22(2)14-17(13-16-9-5-3-6-10-16)21-18(23)20-15-19(24)11-7-4-8-12-19/h3,5-6,9-10,17,24H,4,7-8,11-15H2,1-2H3,(H2,20,21,23)
InChIKeyLUFHXWXLSXAUOV-UHFFFAOYSA-N
XLogP2.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 60544381
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 111426773
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55931996
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea (CID 110936634) is 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea is CN(C)CC(Cc1ccccc1)NC(=O)NCC1(O)CCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is LUFHXWXLSXAUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-22(2)14-17(13-16-9-5-3-6-10-16)21-18(23)20-15-19(24)11-7-4-8-12-19/h3,5-6,9-10,17,24H,4,7-8,11-15H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea?
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 110936634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).