N-(1-amino-2-methylbutyl)-4-methylbenzamide

C13H20N2O — CID 18770723

IUPACN-(1-amino-2-methylbutyl)-4-methylbenzamide
SMILESCCC(C)C(N)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-4-10(3)12(14)15-13(16)11-7-5-9(2)6-8-11/h5-8,10,12H,4,14H2,1-3H3,(H,15,16)
InChIKeyCDBBZAGOFXRDAD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.06
Rot. Bonds4

About N-(1-amino-2-methylbutyl)-4-methylbenzamide

N-(1-amino-2-methylbutyl)-4-methylbenzamide (PubChem CID 18770723) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1-amino-2-methylbutyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutyl)-4-methylbenzamide
PubChem CID18770723
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(1-amino-2-methylbutyl)-4-methylbenzamide
SMILESCCC(C)C(N)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-4-10(3)12(14)15-13(16)11-7-5-9(2)6-8-11/h5-8,10,12H,4,14H2,1-3H3,(H,15,16)
InChIKeyCDBBZAGOFXRDAD-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethyl)-4-methylbenzamide;hydrochloride
CID 18770702
diethyl 2-[(4-methylbenzoyl)amino]propanedioate
CID 17447783
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 78889210
N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 100938187
N-[(2R,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 11053976
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutyl)-4-methylbenzamide?
The IUPAC name of N-(1-amino-2-methylbutyl)-4-methylbenzamide (CID 18770723) is N-(1-amino-2-methylbutyl)-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylbutyl)-4-methylbenzamide?
The canonical SMILES for N-(1-amino-2-methylbutyl)-4-methylbenzamide is CCC(C)C(N)NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-amino-2-methylbutyl)-4-methylbenzamide?
The InChIKey is CDBBZAGOFXRDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-10(3)12(14)15-13(16)11-7-5-9(2)6-8-11/h5-8,10,12H,4,14H2,1-3H3,(H,15,16).
What are the key properties of N-(1-amino-2-methylbutyl)-4-methylbenzamide?
N-(1-amino-2-methylbutyl)-4-methylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutyl)-4-methylbenzamide is sourced from PubChem (CID 18770723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).