N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide

C19H17NO4 — CID 11738812

IUPACN-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2cc(=O)oc3cc(C)ccc23)cc1
InChIInChI=1S/C19H17NO4/c1-12-3-8-17-14(10-19(22)24-18(17)9-12)11-23-16-6-4-15(5-7-16)20-13(2)21/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyPHAKVZSCNGTPSX-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.64
Rot. Bonds4

About N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide

N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide (PubChem CID 11738812) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide
PubChem CID11738812
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2cc(=O)oc3cc(C)ccc23)cc1
InChIInChI=1S/C19H17NO4/c1-12-3-8-17-14(10-19(22)24-18(17)9-12)11-23-16-6-4-15(5-7-16)20-13(2)21/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyPHAKVZSCNGTPSX-UHFFFAOYSA-N
XLogP3.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7-methyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate
CID 2582002
(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 16506936
4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one
CID 7859252
(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 18076997
4-[(2-acetyl-4-chlorophenoxy)methyl]-7-methylchromen-2-one
CID 3491002
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethylbenzoate
CID 2629840
(7-methyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 41148930
N-(4-fluorophenyl)-2-[(7-methyl-2-oxochromen-4-yl)methyl]-3-oxobutanamide
CID 3641289
4-[(4-methoxy-2-nitrophenoxy)methyl]-7-methylchromen-2-one
CID 7473378
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide (CID 11738812) is N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2cc(=O)oc3cc(C)ccc23)cc1.
What is the InChIKey of N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide?
The InChIKey is PHAKVZSCNGTPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-3-8-17-14(10-19(22)24-18(17)9-12)11-23-16-6-4-15(5-7-16)20-13(2)21/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide?
N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 11738812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).