N-(3-amino-2,6-dimethylphenyl)butanamide

C12H18N2O — CID 24711453

IUPACN-(3-amino-2,6-dimethylphenyl)butanamide
SMILESCCCC(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C12H18N2O/c1-4-5-11(15)14-12-8(2)6-7-10(13)9(12)3/h6-7H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyKKOBIMFPCWZLBU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.62
Rot. Bonds3

About N-(3-amino-2,6-dimethylphenyl)butanamide

N-(3-amino-2,6-dimethylphenyl)butanamide (PubChem CID 24711453) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)butanamide
PubChem CID24711453
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3-amino-2,6-dimethylphenyl)butanamide
SMILESCCCC(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C12H18N2O/c1-4-5-11(15)14-12-8(2)6-7-10(13)9(12)3/h6-7H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyKKOBIMFPCWZLBU-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-2,6-dimethylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
1-(3-amino-2,6-dimethylphenyl)-3-propylurea
CID 28785713
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 62367240
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-(3-amino-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555368
N-(3-amino-2,6-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669076
N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide
CID 50880834
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)butanamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)butanamide (CID 24711453) is N-(3-amino-2,6-dimethylphenyl)butanamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)butanamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)butanamide is CCCC(=O)Nc1c(C)ccc(N)c1C.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)butanamide?
The InChIKey is KKOBIMFPCWZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-5-11(15)14-12-8(2)6-7-10(13)9(12)3/h6-7H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)butanamide?
N-(3-amino-2,6-dimethylphenyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)butanamide is sourced from PubChem (CID 24711453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).