N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide

C16H19NO5 — CID 51272059

IUPACN-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
SMILESCOc1ccc2c(C)c(CCC(=O)N(C)OC)c(=O)oc2c1
InChIInChI=1S/C16H19NO5/c1-10-12-6-5-11(20-3)9-14(12)22-16(19)13(10)7-8-15(18)17(2)21-4/h5-6,9H,7-8H2,1-4H3
InChIKeyPHRYFFCDOXEHEG-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.06
Rot. Bonds5

About N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide

N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide (PubChem CID 51272059) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
PubChem CID51272059
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
SMILESCOc1ccc2c(C)c(CCC(=O)N(C)OC)c(=O)oc2c1
InChIInChI=1S/C16H19NO5/c1-10-12-6-5-11(20-3)9-14(12)22-16(19)13(10)7-8-15(18)17(2)21-4/h5-6,9H,7-8H2,1-4H3
InChIKeyPHRYFFCDOXEHEG-UHFFFAOYSA-N
XLogP2.06
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 119653240
N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 134060988
N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 24632596
N-[3-(dimethylamino)propyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 4965116
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
(2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid
CID 907925
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 34449428
3-[7-[(4-methoxyphenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid
CID 2927077
dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 46650496

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide?
The IUPAC name of N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide (CID 51272059) is N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide?
The canonical SMILES for N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide is COc1ccc2c(C)c(CCC(=O)N(C)OC)c(=O)oc2c1.
What is the InChIKey of N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide?
The InChIKey is PHRYFFCDOXEHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10-12-6-5-11(20-3)9-14(12)22-16(19)13(10)7-8-15(18)17(2)21-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide?
N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide has a molecular weight of 305.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide is sourced from PubChem (CID 51272059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).