N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride

C19H25ClN2O2 — CID 119995953

IUPACN-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
SMILESCc1cccc(COc2cccc(C(=O)NCC(C)CN)c2)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14-5-3-6-16(9-14)13-23-18-8-4-7-17(10-18)19(22)21-12-15(2)11-20;/h3-10,15H,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyIQUSDPXZVHLNEZ-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.32
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride (PubChem CID 119995953) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
PubChem CID119995953
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
SMILESCc1cccc(COc2cccc(C(=O)NCC(C)CN)c2)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14-5-3-6-16(9-14)13-23-18-8-4-7-17(10-18)19(22)21-12-15(2)11-20;/h3-10,15H,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyIQUSDPXZVHLNEZ-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride (CID 119995953) is N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride is Cc1cccc(COc2cccc(C(=O)NCC(C)CN)c2)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The InChIKey is IQUSDPXZVHLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-14-5-3-6-16(9-14)13-23-18-8-4-7-17(10-18)19(22)21-12-15(2)11-20;/h3-10,15H,11-13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride is sourced from PubChem (CID 119995953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).