1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea

C23H25N3O4 — CID 35397277

IUPAC1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-2-29-17-13-11-16(12-14-17)25-23(28)26-21-20(24-15-7-3-4-8-15)18-9-5-6-10-19(18)30-22(21)27/h5-6,9-15,24H,2-4,7-8H2,1H3,(H2,25,26,28)
InChIKeyJYWCCPCDEBOSNX-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.19
Rot. Bonds6

About 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea

1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea (PubChem CID 35397277) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
PubChem CID35397277
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-2-29-17-13-11-16(12-14-17)25-23(28)26-21-20(24-15-7-3-4-8-15)18-9-5-6-10-19(18)30-22(21)27/h5-6,9-15,24H,2-4,7-8H2,1H3,(H2,25,26,28)
InChIKeyJYWCCPCDEBOSNX-UHFFFAOYSA-N
XLogP5.19
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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'}

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Related Compounds

1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3,4-dimethoxyphenyl)urea
CID 35397241
1-[4-(benzylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 50763402
1-[(2S)-butan-2-yl]-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 98274767
1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
CID 35396881
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
CID 50763443
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
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-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94069805
1-(2-chloro-4-methylphenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397238
1-(4-methoxyphenyl)-3-[4-(methylamino)-2-oxochromen-3-yl]urea
CID 6471218
1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
CID 3042361

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea (CID 35397277) is 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1.
What is the InChIKey of 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea?
The InChIKey is JYWCCPCDEBOSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-2-29-17-13-11-16(12-14-17)25-23(28)26-21-20(24-15-7-3-4-8-15)18-9-5-6-10-19(18)30-22(21)27/h5-6,9-15,24H,2-4,7-8H2,1H3,(H2,25,26,28).
What are the key properties of 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea?
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea has a molecular weight of 407.47 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 35397277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).