4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride

C18H24ClN3O — CID 117067649

IUPAC4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
SMILESCN(C)CC(Cc1ccccc1)NC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-21(2)13-17(12-14-6-4-3-5-7-14)20-18(22)15-8-10-16(19)11-9-15;/h3-11,17H,12-13,19H2,1-2H3,(H,20,22);1H
InChIKeyCWNRWYOFQCCAKH-UHFFFAOYSA-N
MW333.86 g/mol
LogP2.59
Rot. Bonds6

About 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride

4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride (PubChem CID 117067649) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
PubChem CID117067649
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
SMILESCN(C)CC(Cc1ccccc1)NC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-21(2)13-17(12-14-6-4-3-5-7-14)20-18(22)15-8-10-16(19)11-9-15;/h3-11,17H,12-13,19H2,1-2H3,(H,20,22);1H
InChIKeyCWNRWYOFQCCAKH-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 52.59
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

N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313866
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 97313597
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
CID 23344907
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
CID 151924983
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-2-naphthalen-1-ylacetamide
CID 97195739

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride (CID 117067649) is 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride is CN(C)CC(Cc1ccccc1)NC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride?
The InChIKey is CWNRWYOFQCCAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-21(2)13-17(12-14-6-4-3-5-7-14)20-18(22)15-8-10-16(19)11-9-15;/h3-11,17H,12-13,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride?
4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 117067649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).