2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide

C20H26N2O3 — CID 18116972

IUPAC2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCOc1ccc2cc(CN(C)C(=O)C(NC(C)=O)C(C)C)ccc2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)19(21-14(3)23)20(24)22(4)12-15-6-7-17-11-18(25-5)9-8-16(17)10-15/h6-11,13,19H,12H2,1-5H3,(H,21,23)
InChIKeyNTWGBMUEIPVPHW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.97
Rot. Bonds6

About 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide

2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 18116972) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
PubChem CID18116972
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCOc1ccc2cc(CN(C)C(=O)C(NC(C)=O)C(C)C)ccc2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)19(21-14(3)23)20(24)22(4)12-15-6-7-17-11-18(25-5)9-8-16(17)10-15/h6-11,13,19H,12H2,1-5H3,(H,21,23)
InChIKeyNTWGBMUEIPVPHW-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127
N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 32959766
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethylbutanamide
CID 78800990
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 8925163
2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide
CID 134054757
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
N-[1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24682463
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119919588

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide (CID 18116972) is 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide is COc1ccc2cc(CN(C)C(=O)C(NC(C)=O)C(C)C)ccc2c1.
What is the InChIKey of 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is NTWGBMUEIPVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)19(21-14(3)23)20(24)22(4)12-15-6-7-17-11-18(25-5)9-8-16(17)10-15/h6-11,13,19H,12H2,1-5H3,(H,21,23).
What are the key properties of 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide?
2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 342.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 18116972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).