1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea

C19H24N2O3 — CID 111337141

IUPAC1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
SMILESCC(O)CCNC(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-15(22)11-12-20-19(23)21-13-16-7-9-18(10-8-16)24-14-17-5-3-2-4-6-17/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyBUTQLFQWDWCRAM-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.84
Rot. Bonds8

About 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea

1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea (PubChem CID 111337141) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
PubChem CID111337141
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
SMILESCC(O)CCNC(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-15(22)11-12-20-19(23)21-13-16-7-9-18(10-8-16)24-14-17-5-3-2-4-6-17/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyBUTQLFQWDWCRAM-UHFFFAOYSA-N
XLogP2.84
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)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-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
CID 111337415
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
CID 57123573
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
CID 95984730
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea (CID 111337141) is 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea is CC(O)CCNC(=O)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea?
The InChIKey is BUTQLFQWDWCRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15(22)11-12-20-19(23)21-13-16-7-9-18(10-8-16)24-14-17-5-3-2-4-6-17/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea?
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea has a molecular weight of 328.41 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 111337141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).