N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide

C14H21NO3 — CID 60628303

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-10(2)14(16)15(3)9-11-6-7-12(17-4)13(8-11)18-5/h6-8,10H,9H2,1-5H3
InChIKeyXYEVYLXTQZUCSK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.32
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 60628303) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
PubChem CID60628303
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-10(2)14(16)15(3)9-11-6-7-12(17-4)13(8-11)18-5/h6-8,10H,9H2,1-5H3
InChIKeyXYEVYLXTQZUCSK-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 116676120
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
CID 92683572
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide (CID 60628303) is N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide is COc1ccc(CN(C)C(=O)C(C)C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is XYEVYLXTQZUCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)14(16)15(3)9-11-6-7-12(17-4)13(8-11)18-5/h6-8,10H,9H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.32, 5 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,2-dimethylpropanamide is sourced from PubChem (CID 60628303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).