4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride

C13H21ClN2O — CID 119732301

IUPAC4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
SMILESCCN(CC(C)C)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-15(9-10(2)3)13(16)11-5-7-12(14)8-6-11;/h5-8,10H,4,9,14H2,1-3H3;1H
InChIKeyZCOAYTBKSAZISS-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.81
Rot. Bonds4

About 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride

4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride (PubChem CID 119732301) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
PubChem CID119732301
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
SMILESCCN(CC(C)C)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-15(9-10(2)3)13(16)11-5-7-12(14)8-6-11;/h5-8,10H,4,9,14H2,1-3H3;1H
InChIKeyZCOAYTBKSAZISS-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43243457
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363545
4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
CID 61378658
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride (CID 119732301) is 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride is CCN(CC(C)C)C(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride?
The InChIKey is ZCOAYTBKSAZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-4-15(9-10(2)3)13(16)11-5-7-12(14)8-6-11;/h5-8,10H,4,9,14H2,1-3H3;1H.
What are the key properties of 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride?
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119732301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).