1-(3-hydroxy-4-methoxybutyl)-3-phenylurea

C12H18N2O3 — CID 103875503

IUPAC1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
SMILESCOCC(O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-17-9-11(15)7-8-13-12(16)14-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H2,13,14,16)
InChIKeyKLJAFSNMJJDSCX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.21
Rot. Bonds6

About 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea

1-(3-hydroxy-4-methoxybutyl)-3-phenylurea (PubChem CID 103875503) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
PubChem CID103875503
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
SMILESCOCC(O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-17-9-11(15)7-8-13-12(16)14-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H2,13,14,16)
InChIKeyKLJAFSNMJJDSCX-UHFFFAOYSA-N
XLogP1.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea 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-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
CID 103876096
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea
CID 99836310
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide
CID 113343565
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
CID 106247860
N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
CID 103876902
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea?
The IUPAC name of 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea (CID 103875503) is 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea.
What is the SMILES notation for 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea?
The canonical SMILES for 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea is COCC(O)CCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea?
The InChIKey is KLJAFSNMJJDSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-9-11(15)7-8-13-12(16)14-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea?
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea has a molecular weight of 238.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxybutyl)-3-phenylurea is sourced from PubChem (CID 103875503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).