3-(2-phenylethyl)-N-propylbenzamide

C18H21NO — CID 67214540

IUPAC3-(2-phenylethyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CCc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-2-13-19-18(20)17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,19,20)
InChIKeyDGSFNLROWFYNON-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.61
Rot. Bonds6

About 3-(2-phenylethyl)-N-propylbenzamide

3-(2-phenylethyl)-N-propylbenzamide (PubChem CID 67214540) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2-phenylethyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(2-phenylethyl)-N-propylbenzamide
PubChem CID67214540
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-(2-phenylethyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CCc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-2-13-19-18(20)17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,19,20)
InChIKeyDGSFNLROWFYNON-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111135062
3-(cyanomethyl)-N-propylbenzamide
CID 82178980
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
4-[[[3-(propylcarbamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030411
3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-N-propylbenzamide?
The IUPAC name of 3-(2-phenylethyl)-N-propylbenzamide (CID 67214540) is 3-(2-phenylethyl)-N-propylbenzamide.
What is the SMILES notation for 3-(2-phenylethyl)-N-propylbenzamide?
The canonical SMILES for 3-(2-phenylethyl)-N-propylbenzamide is CCCNC(=O)c1cccc(CCc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethyl)-N-propylbenzamide?
The InChIKey is DGSFNLROWFYNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-13-19-18(20)17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,19,20).
What are the key properties of 3-(2-phenylethyl)-N-propylbenzamide?
3-(2-phenylethyl)-N-propylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-N-propylbenzamide is sourced from PubChem (CID 67214540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).