N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide

C15H24N2O — CID 106356762

IUPACN-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CCN)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)15(18)17-14(9-10-16)11(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyUONIEJGQXYLZEI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds6

About N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide

N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide (PubChem CID 106356762) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
PubChem CID106356762
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CCN)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)15(18)17-14(9-10-16)11(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyUONIEJGQXYLZEI-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
CID 114177682
N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106357055
4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250291
N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114178134
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
(2S)-2-[(4-ethylbenzoyl)amino]-3-methylbutanoate
CID 6968937
methyl (2S)-3-amino-2-[(4-ethylbenzoyl)amino]propanoate
CID 10586770
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
4-ethyl-N-(4-hydroxypentan-2-yl)benzamide
CID 113376576
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide (CID 106356762) is N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC(CCN)C(C)C)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide?
The InChIKey is UONIEJGQXYLZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)15(18)17-14(9-10-16)11(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide?
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide is sourced from PubChem (CID 106356762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).