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

C23H25N3O4 — CID 35396859

IUPAC1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O
InChIInChI=1S/C23H25N3O4/c1-29-19-14-8-6-12-17(19)25-23(28)26-21-20(24-15-9-3-2-4-10-15)16-11-5-7-13-18(16)30-22(21)27/h5-8,11-15,24H,2-4,9-10H2,1H3,(H2,25,26,28)
InChIKeyFDNYNDGMNHGJLI-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.19
Rot. Bonds5

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

1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 35396859) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID35396859
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O
InChIInChI=1S/C23H25N3O4/c1-29-19-14-8-6-12-17(19)25-23(28)26-21-20(24-15-9-3-2-4-10-15)16-11-5-7-13-18(16)30-22(21)27/h5-8,11-15,24H,2-4,9-10H2,1H3,(H2,25,26,28)
InChIKeyFDNYNDGMNHGJLI-UHFFFAOYSA-N
XLogP5.19
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)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-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3,4-dimethoxyphenyl)urea
CID 35397241
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-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 22433730
1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
CID 35396881
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 35397277
1-[(2S)-butan-2-yl]-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 98274767
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
CID 50763443
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]benzenesulfonamide
CID 35397354
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778823
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778699

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea (CID 35396859) is 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O.
What is the InChIKey of 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is FDNYNDGMNHGJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-19-14-8-6-12-17(19)25-23(28)26-21-20(24-15-9-3-2-4-10-15)16-11-5-7-13-18(16)30-22(21)27/h5-8,11-15,24H,2-4,9-10H2,1H3,(H2,25,26,28).
What are the key properties of 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea?
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 407.47 g/mol, XLogP of 5.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 35396859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).