3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride

C13H21ClN2O — CID 119763292

IUPAC3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
SMILESCCCC(C)(C)NC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-8-13(2,3)15-12(16)10-6-5-7-11(14)9-10;/h5-7,9H,4,8,14H2,1-3H3,(H,15,16);1H
InChIKeyYTUXTDPLQFBDSO-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.00
Rot. Bonds4

About 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride

3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride (PubChem CID 119763292) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
PubChem CID119763292
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
SMILESCCCC(C)(C)NC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-8-13(2,3)15-12(16)10-6-5-7-11(14)9-10;/h5-7,9H,4,8,14H2,1-3H3,(H,15,16);1H
InChIKeyYTUXTDPLQFBDSO-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.00
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-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
3-cyano-N-(2-methylpentan-2-yl)benzamide
CID 49366750
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
1-(3-aminophenyl)-2,2-dimethylpentan-1-one
CID 151174957
3-amino-2-hydroxy-N-(2-methylpentan-2-yl)benzamide
CID 113471534
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
CID 119738309
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride (CID 119763292) is 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride is CCCC(C)(C)NC(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride?
The InChIKey is YTUXTDPLQFBDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-4-8-13(2,3)15-12(16)10-6-5-7-11(14)9-10;/h5-7,9H,4,8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride?
3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119763292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).