4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide

C24H25NO4 — CID 31282342

IUPAC4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)N(C)Cc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C24H25NO4/c1-25(16-17-8-9-18-6-4-5-7-19(18)14-17)24(27)13-11-21(26)20-10-12-22(28-2)23(15-20)29-3/h4-10,12,14-15H,11,13,16H2,1-3H3
InChIKeyGQLKIQDPYXTQNN-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.48
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide

4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide (PubChem CID 31282342) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
PubChem CID31282342
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)N(C)Cc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C24H25NO4/c1-25(16-17-8-9-18-6-4-5-7-19(18)14-17)24(27)13-11-21(26)20-10-12-22(28-2)23(15-20)29-3/h4-10,12,14-15H,11,13,16H2,1-3H3
InChIKeyGQLKIQDPYXTQNN-UHFFFAOYSA-N
XLogP4.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9183650
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 18111559
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide
CID 71893360
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(naphthalen-2-ylmethyl)acetamide
CID 115950185
methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
CID 7965611
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
2-(2-methoxyethoxy)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 103601960
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide (CID 31282342) is 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)N(C)Cc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide?
The InChIKey is GQLKIQDPYXTQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-25(16-17-8-9-18-6-4-5-7-19(18)14-17)24(27)13-11-21(26)20-10-12-22(28-2)23(15-20)29-3/h4-10,12,14-15H,11,13,16H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide?
4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide has a molecular weight of 391.47 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 31282342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).