N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide

C22H23NO3 — CID 18111559

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H23NO3/c1-23(15-16-11-12-20(25-2)21(13-16)26-3)22(24)14-18-9-6-8-17-7-4-5-10-19(17)18/h4-13H,14-15H2,1-3H3
InChIKeyCVSJBBDCCISMBZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.06
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide (PubChem CID 18111559) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
PubChem CID18111559
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H23NO3/c1-23(15-16-11-12-20(25-2)21(13-16)26-3)22(24)14-18-9-6-8-17-7-4-5-10-19(17)18/h4-13H,14-15H2,1-3H3
InChIKeyCVSJBBDCCISMBZ-UHFFFAOYSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-yloxybutanamide
CID 132763303
4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
CID 31282342
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-[(3,4-dimethoxyphenyl)methyl]-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18111539
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
1-[(2-bromophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 17430467
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9468010
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide (CID 18111559) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide is COc1ccc(CN(C)C(=O)Cc2cccc3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide?
The InChIKey is CVSJBBDCCISMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-23(15-16-11-12-20(25-2)21(13-16)26-3)22(24)14-18-9-6-8-17-7-4-5-10-19(17)18/h4-13H,14-15H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide has a molecular weight of 349.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 18111559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).