4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide

C25H36N2O — CID 129361894

IUPAC4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide
SMILESCCCCN(CCCC)Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C25H36N2O/c1-4-6-17-27(18-7-5-2)20-23-13-15-24(16-14-23)25(28)26-21(3)19-22-11-9-8-10-12-22/h8-16,21H,4-7,17-20H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyXCUDLNSWDGYQQZ-OAQYLSRUSA-N
MW380.58 g/mol
LogP5.45
Rot. Bonds12

About 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide

4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide (PubChem CID 129361894) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide
PubChem CID129361894
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide
SMILESCCCCN(CCCC)Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C25H36N2O/c1-4-6-17-27(18-7-5-2)20-23-13-15-24(16-14-23)25(28)26-21(3)19-22-11-9-8-10-12-22/h8-16,21H,4-7,17-20H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyXCUDLNSWDGYQQZ-OAQYLSRUSA-N
XLogP5.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.45
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-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
CID 3027106
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
(2S)-2-[[4-[(dibenzylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 72545523
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
(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
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride
CID 3027044
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170

Frequently Asked Questions

What is the IUPAC name of 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide (CID 129361894) is 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide is CCCCN(CCCC)Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2)cc1.
What is the InChIKey of 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide?
The InChIKey is XCUDLNSWDGYQQZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H36N2O/c1-4-6-17-27(18-7-5-2)20-23-13-15-24(16-14-23)25(28)26-21(3)19-22-11-9-8-10-12-22/h8-16,21H,4-7,17-20H2,1-3H3,(H,26,28)/t21-/m1/s1.
What are the key properties of 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide?
4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide has a molecular weight of 380.58 g/mol, XLogP of 5.45, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 129361894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).