3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide

C15H24N2O — CID 63842494

IUPAC3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H24N2O/c1-5-12(6-2)11(4)17-15(18)13-8-7-10(3)14(16)9-13/h7-9,11-12H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyMHCMHVQATKLCGX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.13
Rot. Bonds5

About 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide

3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide (PubChem CID 63842494) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
PubChem CID63842494
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H24N2O/c1-5-12(6-2)11(4)17-15(18)13-8-7-10(3)14(16)9-13/h7-9,11-12H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyMHCMHVQATKLCGX-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.13
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

3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide
CID 63838974
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 93081126
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-methylbenzamide
CID 113266675
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843419
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
methyl (2S)-2-[(3-amino-4-methylbenzoyl)amino]-3-methylbutanoate
CID 61142860
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide (CID 63842494) is 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide is CCC(CC)C(C)NC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide?
The InChIKey is MHCMHVQATKLCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-12(6-2)11(4)17-15(18)13-8-7-10(3)14(16)9-13/h7-9,11-12H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide?
3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 63842494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).