N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide

C15H24N2O — CID 114178197

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CCN)C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11-5-7-12(8-6-11)14(18)17-13(9-10-16)15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyJQLGIYWHJDUVIO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds4

About N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide

N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide (PubChem CID 114178197) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
PubChem CID114178197
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CCN)C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11-5-7-12(8-6-11)14(18)17-13(9-10-16)15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyJQLGIYWHJDUVIO-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106357055
N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide
CID 106357063
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106357184
4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
CID 119325324
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
CID 106357259
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210
N-(1-amino-2-methylbutyl)-4-methylbenzamide
CID 18770723
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355822
(2S)-5-amino-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 22838808
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
N-(1-amino-4,4-dimethylpentan-3-yl)naphthalene-1-carboxamide
CID 106357235

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide (CID 114178197) is N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC(CCN)C(C)(C)C)cc1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide?
The InChIKey is JQLGIYWHJDUVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-7-12(8-6-11)14(18)17-13(9-10-16)15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide is sourced from PubChem (CID 114178197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).