3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride

C13H21ClN2O2 — CID 119813458

IUPAC3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
SMILESCOC(CNC(=O)c1cccc(N)c1)C(C)C.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9(2)12(17-3)8-15-13(16)10-5-4-6-11(14)7-10;/h4-7,9,12H,8,14H2,1-3H3,(H,15,16);1H
InChIKeyLSRCYGTVMFFMHK-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.09
Rot. Bonds5

About 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride

3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride (PubChem CID 119813458) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
PubChem CID119813458
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
SMILESCOC(CNC(=O)c1cccc(N)c1)C(C)C.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9(2)12(17-3)8-15-13(16)10-5-4-6-11(14)7-10;/h4-7,9,12H,8,14H2,1-3H3,(H,15,16);1H
InChIKeyLSRCYGTVMFFMHK-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
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CID 63981976
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
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N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
methyl 3-[(3-aminobenzoyl)amino]butanoate;hydrochloride
CID 119695196
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride (CID 119813458) is 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride is COC(CNC(=O)c1cccc(N)c1)C(C)C.Cl.
What is the InChIKey of 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride?
The InChIKey is LSRCYGTVMFFMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-9(2)12(17-3)8-15-13(16)10-5-4-6-11(14)7-10;/h4-7,9,12H,8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride?
3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride is sourced from PubChem (CID 119813458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).