1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea

C18H25N3O2 — CID 125445842

IUPAC1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea
SMILESCN(CC[C@@H](O)c1ccccc1)C(=O)NCCCn1cccc1
InChIInChI=1S/C18H25N3O2/c1-20(15-10-17(22)16-8-3-2-4-9-16)18(23)19-11-7-14-21-12-5-6-13-21/h2-6,8-9,12-13,17,22H,7,10-11,14-15H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyWPKMWBLMSWLSHV-QGZVFWFLSA-N
MW315.42 g/mol
LogP2.64
Rot. Bonds8

About 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea

1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea (PubChem CID 125445842) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea
PubChem CID125445842
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea
SMILESCN(CC[C@@H](O)c1ccccc1)C(=O)NCCCn1cccc1
InChIInChI=1S/C18H25N3O2/c1-20(15-10-17(22)16-8-3-2-4-9-16)18(23)19-11-7-14-21-12-5-6-13-21/h2-6,8-9,12-13,17,22H,7,10-11,14-15H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyWPKMWBLMSWLSHV-QGZVFWFLSA-N
XLogP2.64
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)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

N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
1-[(3S)-3-hydroxy-3-phenylpropyl]-1-methyl-3-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]urea
CID 125437787
1-[(3S)-3-hydroxy-3-phenylpropyl]-1-methyl-3-[(5-methyl-1H-pyrazol-3-yl)methyl]urea
CID 126439318
ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
CID 19753336
6-[[3-hydroxybutyl(methyl)carbamoyl]amino]hexanoic acid
CID 113499758
1-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 97019609
N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 95119417
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea
CID 122561757
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 99927064
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea
CID 122563299

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea?
The IUPAC name of 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea (CID 125445842) is 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea.
What is the SMILES notation for 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea?
The canonical SMILES for 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea is CN(CC[C@@H](O)c1ccccc1)C(=O)NCCCn1cccc1.
What is the InChIKey of 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea?
The InChIKey is WPKMWBLMSWLSHV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20(15-10-17(22)16-8-3-2-4-9-16)18(23)19-11-7-14-21-12-5-6-13-21/h2-6,8-9,12-13,17,22H,7,10-11,14-15H2,1H3,(H,19,23)/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea?
1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea has a molecular weight of 315.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea is sourced from PubChem (CID 125445842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).