N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide

C13H20N2O3 — CID 43549148

IUPACN-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C13H20N2O3/c1-5-8(2)13(16)15-10-7-12(18-4)11(17-3)6-9(10)14/h6-8H,5,14H2,1-4H3,(H,15,16)
InChIKeyJKXDAAUPIWFFBW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.27
Rot. Bonds5

About N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide

N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide (PubChem CID 43549148) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
PubChem CID43549148
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C13H20N2O3/c1-5-8(2)13(16)15-10-7-12(18-4)11(17-3)6-9(10)14/h6-8H,5,14H2,1-4H3,(H,15,16)
InChIKeyJKXDAAUPIWFFBW-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
4,5-dimethoxy-2-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 2221824
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
2-[[(2S)-2-aminobutanoyl]amino]-4,5-dimethoxybenzamide
CID 119307644
2-(2-amino-4,5-dimethoxyanilino)propanamide
CID 83001358
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanamide
CID 43548167
N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide
CID 43549128

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide (CID 43549148) is N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cc(OC)c(OC)cc1N.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide?
The InChIKey is JKXDAAUPIWFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-8(2)13(16)15-10-7-12(18-4)11(17-3)6-9(10)14/h6-8H,5,14H2,1-4H3,(H,15,16).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide?
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide has a molecular weight of 252.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 43549148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).