2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide

C24H28N2O4 — CID 9168558

IUPAC2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1cc(=O)oc2cc(C)c(C)cc12
InChIInChI=1S/C24H28N2O4/c1-5-10-26(15-23(27)25-20-8-6-7-9-21(20)29-4)14-18-13-24(28)30-22-12-17(3)16(2)11-19(18)22/h6-9,11-13H,5,10,14-15H2,1-4H3,(H,25,27)
InChIKeySBNRJNILVFGTMM-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.27
Rot. Bonds8

About 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide

2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 9168558) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID9168558
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1cc(=O)oc2cc(C)c(C)cc12
InChIInChI=1S/C24H28N2O4/c1-5-10-26(15-23(27)25-20-8-6-7-9-21(20)29-4)14-18-13-24(28)30-22-12-17(3)16(2)11-19(18)22/h6-9,11-13H,5,10,14-15H2,1-4H3,(H,25,27)
InChIKeySBNRJNILVFGTMM-UHFFFAOYSA-N
XLogP4.27
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27219969
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24534367
N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
CID 51171423
N-(2-methoxyphenyl)-2-[propyl-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]amino]acetamide
CID 9243894
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9303635
N-(2-methoxyphenyl)-2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 51223786
2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 78818986

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide (CID 9168558) is 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(=O)oc2cc(C)c(C)cc12.
What is the InChIKey of 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is SBNRJNILVFGTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-5-10-26(15-23(27)25-20-8-6-7-9-21(20)29-4)14-18-13-24(28)30-22-12-17(3)16(2)11-19(18)22/h6-9,11-13H,5,10,14-15H2,1-4H3,(H,25,27).
What are the key properties of 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 9168558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).