N-benzyl-4-(propylamino)benzamide

C17H20N2O — CID 62172438

IUPACN-benzyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-12-18-16-10-8-15(9-11-16)17(20)19-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChIKeyZHSXMCNJBAEPGQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.44
Rot. Bonds6

About N-benzyl-4-(propylamino)benzamide

N-benzyl-4-(propylamino)benzamide (PubChem CID 62172438) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-benzyl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(propylamino)benzamide
PubChem CID62172438
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-benzyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-12-18-16-10-8-15(9-11-16)17(20)19-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChIKeyZHSXMCNJBAEPGQ-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54844190
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-pentyl-4-(propylamino)benzamide
CID 62185567
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
N-benzyl-4-(2-ethylhexanoylamino)benzamide
CID 546715
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(propylamino)benzamide?
The IUPAC name of N-benzyl-4-(propylamino)benzamide (CID 62172438) is N-benzyl-4-(propylamino)benzamide.
What is the SMILES notation for N-benzyl-4-(propylamino)benzamide?
The canonical SMILES for N-benzyl-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(propylamino)benzamide?
The InChIKey is ZHSXMCNJBAEPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-12-18-16-10-8-15(9-11-16)17(20)19-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,19,20).
What are the key properties of N-benzyl-4-(propylamino)benzamide?
N-benzyl-4-(propylamino)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(propylamino)benzamide is sourced from PubChem (CID 62172438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).