1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea

C24H27N3O5 — CID 22433735

IUPAC1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1
InChIInChI=1S/C24H27N3O5/c1-30-16-12-13-20(31-2)18(14-16)26-24(29)27-22-21(25-15-8-4-3-5-9-15)17-10-6-7-11-19(17)32-23(22)28/h6-7,10-15,25H,3-5,8-9H2,1-2H3,(H2,26,27,29)
InChIKeyOVCZOXJYLDPPQT-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.20
Rot. Bonds6

About 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea

1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 22433735) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
PubChem CID22433735
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1
InChIInChI=1S/C24H27N3O5/c1-30-16-12-13-20(31-2)18(14-16)26-24(29)27-22-21(25-15-8-4-3-5-9-15)17-10-6-7-11-19(17)32-23(22)28/h6-7,10-15,25H,3-5,8-9H2,1-2H3,(H2,26,27,29)
InChIKeyOVCZOXJYLDPPQT-UHFFFAOYSA-N
XLogP5.20
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
CID 35396859
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3,4-dimethoxyphenyl)urea
CID 35397241
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
CID 54723744
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 35397277
1-(2-chloro-4-methylphenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397238
1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
CID 35396881
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778823
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778699
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
CID 50763443
1-[(2S)-butan-2-yl]-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 98274767
1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762086

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea (CID 22433735) is 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1.
What is the InChIKey of 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is OVCZOXJYLDPPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-30-16-12-13-20(31-2)18(14-16)26-24(29)27-22-21(25-15-8-4-3-5-9-15)17-10-6-7-11-19(17)32-23(22)28/h6-7,10-15,25H,3-5,8-9H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea?
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 437.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 22433735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).