4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride

C23H33ClN2O — CID 3027106

IUPAC4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
SMILESCCCN(CCC)Cc1ccc(C(=O)NC(C)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C23H32N2O.ClH/c1-4-15-25(16-5-2)18-21-11-13-22(14-12-21)23(26)24-19(3)17-20-9-7-6-8-10-20;/h6-14,19H,4-5,15-18H2,1-3H3,(H,24,26);1H
InChIKeyYVWRILIKFWDNRO-UHFFFAOYSA-N
MW388.98 g/mol
LogP5.09
Rot. Bonds10

About 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride

4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride (PubChem CID 3027106) has the molecular formula C23H33ClN2O and a molecular weight of 388.98 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
PubChem CID3027106
Molecular FormulaC23H33ClN2O
Molecular Weight388.98 g/mol
Exact Mass388.23
IUPAC Name4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
SMILESCCCN(CCC)Cc1ccc(C(=O)NC(C)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C23H32N2O.ClH/c1-4-15-25(16-5-2)18-21-11-13-22(14-12-21)23(26)24-19(3)17-20-9-7-6-8-10-20;/h6-14,19H,4-5,15-18H2,1-3H3,(H,24,26);1H
InChIKeyYVWRILIKFWDNRO-UHFFFAOYSA-N
XLogP5.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.98
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide
CID 3027107
4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 129361894
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid
CID 119369868
(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 119368577
(2S)-2-[[4-[(dibenzylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 72545523
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride (CID 3027106) is 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride is CCCN(CCC)Cc1ccc(C(=O)NC(C)Cc2ccccc2)cc1.Cl.
What is the InChIKey of 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride?
The InChIKey is YVWRILIKFWDNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O.ClH/c1-4-15-25(16-5-2)18-21-11-13-22(14-12-21)23(26)24-19(3)17-20-9-7-6-8-10-20;/h6-14,19H,4-5,15-18H2,1-3H3,(H,24,26);1H.
What are the key properties of 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride?
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride has a molecular weight of 388.98 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 3027106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).