N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide

C13H19NO3 — CID 22954105

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1cc(CNC(=O)C(C)C)cc(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(2)13(15)14-8-10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyZAWGPJXWSANNKB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.98
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide

N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 22954105) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
PubChem CID22954105
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1cc(CNC(=O)C(C)C)cc(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(2)13(15)14-8-10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyZAWGPJXWSANNKB-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
CID 171523322
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
(2R,3S,4S)-3-acetyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dimethylhexanamide
CID 71095009
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
2-[(3,5-dimethoxyphenyl)methylamino]propanoic acid
CID 54959230
2-[(3,5-dimethoxyphenyl)methylamino]propanamide
CID 43402365
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
N-[2-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111250057
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide
CID 49367786
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide (CID 22954105) is N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide is COc1cc(CNC(=O)C(C)C)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is ZAWGPJXWSANNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)13(15)14-8-10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3,(H,14,15).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide?
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 22954105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).