N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide

C19H17NO4 — CID 110667198

IUPACN-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCCc1ccc(O)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H17NO4/c21-15-9-7-13(8-10-15)4-3-11-20-18(22)16-12-14-5-1-2-6-17(14)24-19(16)23/h1-2,5-10,12,21H,3-4,11H2,(H,20,22)
InChIKeyYSSVZZNDRWDQQF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.86
Rot. Bonds5

About N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide

N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide (PubChem CID 110667198) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide
PubChem CID110667198
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCCc1ccc(O)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H17NO4/c21-15-9-7-13(8-10-15)4-3-11-20-18(22)16-12-14-5-1-2-6-17(14)24-19(16)23/h1-2,5-10,12,21H,3-4,11H2,(H,20,22)
InChIKeyYSSVZZNDRWDQQF-UHFFFAOYSA-N
XLogP2.86
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide (CID 110667198) is N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide is O=C(NCCCc1ccc(O)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide?
The InChIKey is YSSVZZNDRWDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-15-9-7-13(8-10-15)4-3-11-20-18(22)16-12-14-5-1-2-6-17(14)24-19(16)23/h1-2,5-10,12,21H,3-4,11H2,(H,20,22).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide?
N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110667198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).