4-amino-N-(2-methylbutyl)benzamide

C12H18N2O — CID 22242294

IUPAC4-amino-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O/c1-3-9(2)8-14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyOIHHACBSVFSFLI-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.04
Rot. Bonds4

About 4-amino-N-(2-methylbutyl)benzamide

4-amino-N-(2-methylbutyl)benzamide (PubChem CID 22242294) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-amino-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-methylbutyl)benzamide
PubChem CID22242294
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-amino-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O/c1-3-9(2)8-14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyOIHHACBSVFSFLI-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminopropyl)benzamide
CID 130891998
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 61276034
ethane;2-methylbutan-1-amine;[4-(2-methylbutylcarbamoyl)phenyl]boronic acid
CID 164968228
CID 167532021
CID 167532021
4-amino-N-butan-2-ylbenzamide
CID 3503917
1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
CID 62700733
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylbutyl)benzamide?
The IUPAC name of 4-amino-N-(2-methylbutyl)benzamide (CID 22242294) is 4-amino-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-methylbutyl)benzamide?
The canonical SMILES for 4-amino-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-methylbutyl)benzamide?
The InChIKey is OIHHACBSVFSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-9(2)8-14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-(2-methylbutyl)benzamide?
4-amino-N-(2-methylbutyl)benzamide has a molecular weight of 206.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 22242294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).