1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

C17H27N3O2 — CID 111104301

IUPAC1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESCC(CNC(=O)NC(CO)Cc1ccccc1)N(C)C1CC1
InChIInChI=1S/C17H27N3O2/c1-13(20(2)16-8-9-16)11-18-17(22)19-15(12-21)10-14-6-4-3-5-7-14/h3-7,13,15-16,21H,8-12H2,1-2H3,(H2,18,19,22)
InChIKeyALSGEFUUVQXPGF-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.37
Rot. Bonds8

About 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 111104301) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID111104301
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESCC(CNC(=O)NC(CO)Cc1ccccc1)N(C)C1CC1
InChIInChI=1S/C17H27N3O2/c1-13(20(2)16-8-9-16)11-18-17(22)19-15(12-21)10-14-6-4-3-5-7-14/h3-7,13,15-16,21H,8-12H2,1-2H3,(H2,18,19,22)
InChIKeyALSGEFUUVQXPGF-UHFFFAOYSA-N
XLogP1.37
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)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-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 112831938
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine
CID 114132419
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
CID 91650522
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
1-[1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-(2-methylpropyl)urea
CID 46286236
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]urea
CID 99698082
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129435365

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 111104301) is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is CC(CNC(=O)NC(CO)Cc1ccccc1)N(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is ALSGEFUUVQXPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(20(2)16-8-9-16)11-18-17(22)19-15(12-21)10-14-6-4-3-5-7-14/h3-7,13,15-16,21H,8-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea has a molecular weight of 305.42 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 111104301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).