N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride

C23H33ClN2O — CID 3027044

IUPACN-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride
SMILESCCCCN(CCCC)CC(NC(=O)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H32N2O.ClH/c1-3-5-17-25(18-6-4-2)19-22(20-13-9-7-10-14-20)24-23(26)21-15-11-8-12-16-21;/h7-16,22H,3-6,17-19H2,1-2H3,(H,24,26);1H
InChIKeySNNYSZGEINAMLC-UHFFFAOYSA-N
MW388.98 g/mol
LogP5.48
Rot. Bonds11

About N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride

N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride (PubChem CID 3027044) has the molecular formula C23H33ClN2O and a molecular weight of 388.98 g/mol. Its IUPAC name is N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride
PubChem CID3027044
Molecular FormulaC23H33ClN2O
Molecular Weight388.98 g/mol
Exact Mass388.23
IUPAC NameN-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride
SMILESCCCCN(CCCC)CC(NC(=O)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H32N2O.ClH/c1-3-5-17-25(18-6-4-2)19-22(20-13-9-7-10-14-20)24-23(26)21-15-11-8-12-16-21;/h7-16,22H,3-6,17-19H2,1-2H3,(H,24,26);1H
InChIKeySNNYSZGEINAMLC-UHFFFAOYSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.98
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1S)-2-(dibutylamino)-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 157208298
S-ethyl 3-benzamido-3-phenylpropanethioate
CID 11758800
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 94336143

Frequently Asked Questions

What is the IUPAC name of N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride (CID 3027044) is N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride is CCCCN(CCCC)CC(NC(=O)c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride?
The InChIKey is SNNYSZGEINAMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O.ClH/c1-3-5-17-25(18-6-4-2)19-22(20-13-9-7-10-14-20)24-23(26)21-15-11-8-12-16-21;/h7-16,22H,3-6,17-19H2,1-2H3,(H,24,26);1H.
What are the key properties of N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride?
N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride has a molecular weight of 388.98 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride is sourced from PubChem (CID 3027044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).