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

C14H22N2O3 — CID 28866736

IUPACN-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C14H22N2O3/c1-5-9(6-2)14(17)16-11-8-13(19-4)12(18-3)7-10(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyKXQGQZPYNRHYEC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.66
Rot. Bonds6

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

N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide (PubChem CID 28866736) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
PubChem CID28866736
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C14H22N2O3/c1-5-9(6-2)14(17)16-11-8-13(19-4)12(18-3)7-10(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyKXQGQZPYNRHYEC-UHFFFAOYSA-N
XLogP2.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.66
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-methylbutanamide
CID 43549148
N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide
CID 139792961
2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide
CID 65225390
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
methyl 3-amino-4-(2-ethylbutanoylamino)benzoate
CID 110481379
2-[[(2S)-2-aminobutanoyl]amino]-4,5-dimethoxybenzamide
CID 119307644
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
3-(2-ethylbutanoylamino)-4,5-dimethoxybenzoic acid
CID 120606615
4,5-dimethoxy-2-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 2221824
N-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide (CID 28866736) is N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1cc(OC)c(OC)cc1N.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide?
The InChIKey is KXQGQZPYNRHYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-9(6-2)14(17)16-11-8-13(19-4)12(18-3)7-10(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide?
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 2.66, 6 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-ethylbutanamide is sourced from PubChem (CID 28866736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).