3-(3-phenylpropylamino)-N-propylbenzamide

C19H24N2O — CID 78885469

IUPAC3-(3-phenylpropylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-2-13-21-19(22)17-11-6-12-18(15-17)20-14-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15,20H,2,7,10,13-14H2,1H3,(H,21,22)
InChIKeyWANBMRACNAJCLF-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.87
Rot. Bonds8

About 3-(3-phenylpropylamino)-N-propylbenzamide

3-(3-phenylpropylamino)-N-propylbenzamide (PubChem CID 78885469) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(3-phenylpropylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-(3-phenylpropylamino)-N-propylbenzamide
PubChem CID78885469
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-(3-phenylpropylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-2-13-21-19(22)17-11-6-12-18(15-17)20-14-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15,20H,2,7,10,13-14H2,1H3,(H,21,22)
InChIKeyWANBMRACNAJCLF-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-butyl-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837288
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
CID 109030863
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropylamino)-N-propylbenzamide?
The IUPAC name of 3-(3-phenylpropylamino)-N-propylbenzamide (CID 78885469) is 3-(3-phenylpropylamino)-N-propylbenzamide.
What is the SMILES notation for 3-(3-phenylpropylamino)-N-propylbenzamide?
The canonical SMILES for 3-(3-phenylpropylamino)-N-propylbenzamide is CCCNC(=O)c1cccc(NCCCc2ccccc2)c1.
What is the InChIKey of 3-(3-phenylpropylamino)-N-propylbenzamide?
The InChIKey is WANBMRACNAJCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-13-21-19(22)17-11-6-12-18(15-17)20-14-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15,20H,2,7,10,13-14H2,1H3,(H,21,22).
What are the key properties of 3-(3-phenylpropylamino)-N-propylbenzamide?
3-(3-phenylpropylamino)-N-propylbenzamide has a molecular weight of 296.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropylamino)-N-propylbenzamide is sourced from PubChem (CID 78885469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).