8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide

C20H18N2O7 — CID 146000873

IUPAC8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide
SMILESCCOc1cccc2cc(C(=O)NNC(=O)c3cc(OC)ccc3O)c(=O)oc12
InChIInChI=1S/C20H18N2O7/c1-3-28-16-6-4-5-11-9-14(20(26)29-17(11)16)19(25)22-21-18(24)13-10-12(27-2)7-8-15(13)23/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPEVWEVFFFWIMNW-UHFFFAOYSA-N
MW398.37 g/mol
LogP1.98
Rot. Bonds5

About 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide

8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide (PubChem CID 146000873) has the molecular formula C20H18N2O7 and a molecular weight of 398.37 g/mol. Its IUPAC name is 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound Name8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide
PubChem CID146000873
Molecular FormulaC20H18N2O7
Molecular Weight398.37 g/mol
Exact Mass398.11
IUPAC Name8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide
SMILESCCOc1cccc2cc(C(=O)NNC(=O)c3cc(OC)ccc3O)c(=O)oc12
InChIInChI=1S/C20H18N2O7/c1-3-28-16-6-4-5-11-9-14(20(26)29-17(11)16)19(25)22-21-18(24)13-10-12(27-2)7-8-15(13)23/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPEVWEVFFFWIMNW-UHFFFAOYSA-N
XLogP1.98
TPSA127.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
CID 16645463
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
3-acetyl-8-ethoxychromen-2-one
CID 3266617
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
(E)-1-(8-ethoxy-2-oxochromen-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
CID 12002128
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
ethyl 3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propanoate
CID 4010432
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide?
The IUPAC name of 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide (CID 146000873) is 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide?
The canonical SMILES for 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide is CCOc1cccc2cc(C(=O)NNC(=O)c3cc(OC)ccc3O)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide?
The InChIKey is PEVWEVFFFWIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O7/c1-3-28-16-6-4-5-11-9-14(20(26)29-17(11)16)19(25)22-21-18(24)13-10-12(27-2)7-8-15(13)23/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide?
8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide has a molecular weight of 398.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 146000873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).