N-(3,5-dimethoxyphenyl)-2-methylpropanamide

C12H17NO3 — CID 885768

IUPACN-(3,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)C)cc(OC)c1
InChIInChI=1S/C12H17NO3/c1-8(2)12(14)13-9-5-10(15-3)7-11(6-9)16-4/h5-8H,1-4H3,(H,13,14)
InChIKeyCMIISMMJDFUKFV-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.30
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2-methylpropanamide

N-(3,5-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 885768) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-methylpropanamide
PubChem CID885768
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(3,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)C)cc(OC)c1
InChIInChI=1S/C12H17NO3/c1-8(2)12(14)13-9-5-10(15-3)7-11(6-9)16-4/h5-8H,1-4H3,(H,13,14)
InChIKeyCMIISMMJDFUKFV-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3'-Ethoxyacetanilide
CID 11570
3,5-Dimethoxyaniline
CID 66301
Acetamide, N-(3-methoxyphenyl)-
CID 11494
N-(3,5-dihydroxyphenyl)acetamide
CID 792929
N-(3-methoxyphenyl)pivalamide
CID 546358
1-(3,5-Dimethoxyphenyl)piperazine
CID 2736205
N-[4-(3-Methoxy-phenoxy)-phenyl]-butyramide
CID 9947753
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
N-(3,5-dimethoxyphenyl)propanamide
CID 702220
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
N-(3,4,5-Trimethoxyphenyl)acetamide
CID 199504
2-chloro-N-(3,5-dimethoxyphenyl)acetamide
CID 2303719

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylpropanamide (CID 885768) is N-(3,5-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-methylpropanamide is COc1cc(NC(=O)C(C)C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is CMIISMMJDFUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)12(14)13-9-5-10(15-3)7-11(6-9)16-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
N-(3,5-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 885768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).