4-benzyl-N-ethylbenzamide

C16H17NO — CID 134120069

IUPAC4-benzyl-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-2-17-16(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,17,18)
InChIKeySIVTWPPKNBUDHA-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.03
Rot. Bonds4

About 4-benzyl-N-ethylbenzamide

4-benzyl-N-ethylbenzamide (PubChem CID 134120069) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-benzyl-N-ethylbenzamide.

Molecular Properties

Compound Name4-benzyl-N-ethylbenzamide
PubChem CID134120069
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-benzyl-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-2-17-16(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,17,18)
InChIKeySIVTWPPKNBUDHA-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethylbenzamide
CID 160772566
N-ethylbenzamide;hydrochloride
CID 57444995
4-benzamido-N-ethylbenzamide
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1,2-bis(4-benzylphenyl)ethane-1,2-dione
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N-ethyl-4-(phenylcarbamoylamino)benzamide
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N-(2-benzamidoethyl)-4-ethylbenzamide
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4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-(cyanomethyl)-N-ethylbenzamide
CID 82178780
N-ethyl-4-prop-2-enylbenzamide
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ethane;N-ethyl-4-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethylbenzamide?
The IUPAC name of 4-benzyl-N-ethylbenzamide (CID 134120069) is 4-benzyl-N-ethylbenzamide.
What is the SMILES notation for 4-benzyl-N-ethylbenzamide?
The canonical SMILES for 4-benzyl-N-ethylbenzamide is CCNC(=O)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-ethylbenzamide?
The InChIKey is SIVTWPPKNBUDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-17-16(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,17,18).
What are the key properties of 4-benzyl-N-ethylbenzamide?
4-benzyl-N-ethylbenzamide has a molecular weight of 239.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethylbenzamide is sourced from PubChem (CID 134120069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).