7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide

C19H17NO6 — CID 118708727

IUPAC7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)oc2cc1O
InChIInChI=1S/C19H17NO6/c1-25-17-9-12-8-14(19(24)26-16(12)10-15(17)22)18(23)20-7-6-11-2-4-13(21)5-3-11/h2-5,8-10,21-22H,6-7H2,1H3,(H,20,23)
InChIKeyLLXHBBVDYRMRQX-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.19
Rot. Bonds5

About 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide

7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 118708727) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID118708727
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)oc2cc1O
InChIInChI=1S/C19H17NO6/c1-25-17-9-12-8-14(19(24)26-16(12)10-15(17)22)18(23)20-7-6-11-2-4-13(21)5-3-11/h2-5,8-10,21-22H,6-7H2,1H3,(H,20,23)
InChIKeyLLXHBBVDYRMRQX-UHFFFAOYSA-N
XLogP2.19
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.19
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

N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 156695952
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1259055
N-[2-(4-hydroxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 70696536
N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide
CID 71508315
phenyl 7-hydroxy-6-methoxy-2-oxochromene-3-carboxylate
CID 129041798
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide
CID 110611985
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide
CID 51201859
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide (CID 118708727) is 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide is COc1cc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)oc2cc1O.
What is the InChIKey of 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is LLXHBBVDYRMRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-25-17-9-12-8-14(19(24)26-16(12)10-15(17)22)18(23)20-7-6-11-2-4-13(21)5-3-11/h2-5,8-10,21-22H,6-7H2,1H3,(H,20,23).
What are the key properties of 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide?
7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 118708727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).