N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide

C13H21N3O — CID 43271763

IUPACN-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(C)CC(=O)Nc1ccccc1N
InChIInChI=1S/C13H21N3O/c1-10(2)8-16(3)9-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeySNKPXMQNFLPPRO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds5

About N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide

N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide (PubChem CID 43271763) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
PubChem CID43271763
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(C)CC(=O)Nc1ccccc1N
InChIInChI=1S/C13H21N3O/c1-10(2)8-16(3)9-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeySNKPXMQNFLPPRO-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide
CID 54948690
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334
2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 100703004
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
N-(2-acetylphenyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287860
methyl 2-methyl-3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoate
CID 60704243
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61242990

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide (CID 43271763) is N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide is CC(C)CN(C)CC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide?
The InChIKey is SNKPXMQNFLPPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)8-16(3)9-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide?
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 43271763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).