1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea

C19H22N2O3 — CID 111453499

IUPAC1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-2-16(11-12-22)20-19(24)21-17-10-6-9-15(13-17)18(23)14-7-4-3-5-8-14/h3-10,13,16,22H,2,11-12H2,1H3,(H2,20,21,24)
InChIKeyNFCANLYFYVSLFP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.20
Rot. Bonds7

About 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea

1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111453499) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111453499
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-2-16(11-12-22)20-19(24)21-17-10-6-9-15(13-17)18(23)14-7-4-3-5-8-14/h3-10,13,16,22H,2,11-12H2,1H3,(H2,20,21,24)
InChIKeyNFCANLYFYVSLFP-UHFFFAOYSA-N
XLogP3.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-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

N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(1-hydroxypentan-3-yl)-3-(3-thiophen-2-ylphenyl)urea
CID 111453355
3-(hex-5-yn-3-ylcarbamoylamino)benzoic acid
CID 113477980
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111474945
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
1-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-3-(1-hydroxypentan-3-yl)urea
CID 111450077
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
1-(1-hydroxypentan-3-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111453411

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea (CID 111453499) is 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is NFCANLYFYVSLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-16(11-12-22)20-19(24)21-17-10-6-9-15(13-17)18(23)14-7-4-3-5-8-14/h3-10,13,16,22H,2,11-12H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea?
1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 326.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111453499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).