1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea

C24H25N3O4 — CID 35396881

IUPAC1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1
InChIInChI=1S/C24H25N3O4/c1-15(28)16-8-7-11-18(14-16)26-24(30)27-22-21(25-17-9-3-2-4-10-17)19-12-5-6-13-20(19)31-23(22)29/h5-8,11-14,17,25H,2-4,9-10H2,1H3,(H2,26,27,30)
InChIKeyGLDFBHWJPHXIJE-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.38
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea

1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea (PubChem CID 35396881) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
PubChem CID35396881
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1
InChIInChI=1S/C24H25N3O4/c1-15(28)16-8-7-11-18(14-16)26-24(30)27-22-21(25-17-9-3-2-4-10-17)19-12-5-6-13-20(19)31-23(22)29/h5-8,11-14,17,25H,2-4,9-10H2,1H3,(H2,26,27,30)
InChIKeyGLDFBHWJPHXIJE-UHFFFAOYSA-N
XLogP5.38
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-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

1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
CID 50763443
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3,4-dimethoxyphenyl)urea
CID 35397241
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 35397277
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
CID 35396859
1-(2-chlorophenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397259
1-(2-chloro-4-methylphenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397238
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
1-[(2S)-butan-2-yl]-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 98274767
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]benzenesulfonamide
CID 35397354
1-(3-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762131
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778699
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea
CID 35396970

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea (CID 35396881) is 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea is CC(=O)c1cccc(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea?
The InChIKey is GLDFBHWJPHXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15(28)16-8-7-11-18(14-16)26-24(30)27-22-21(25-17-9-3-2-4-10-17)19-12-5-6-13-20(19)31-23(22)29/h5-8,11-14,17,25H,2-4,9-10H2,1H3,(H2,26,27,30).
What are the key properties of 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea?
1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea has a molecular weight of 419.48 g/mol, XLogP of 5.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea is sourced from PubChem (CID 35396881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).