N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide

C19H21NO2 — CID 135033828

IUPACN-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@H](C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-4-20(15(3)21)14(2)16-10-12-18(13-11-16)19(22)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/t14-/m1/s1
InChIKeyPFKOXUTYUNCLQT-CQSZACIVSA-N
MW295.38 g/mol
LogP3.85
Rot. Bonds5

About N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide

N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide (PubChem CID 135033828) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide
PubChem CID135033828
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@H](C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-4-20(15(3)21)14(2)16-10-12-18(13-11-16)19(22)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/t14-/m1/s1
InChIKeyPFKOXUTYUNCLQT-CQSZACIVSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Methyl-N,N-diethylbenzamide
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AR-M1000390
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4-methyl-N-(2-phenylethyl)benzamide
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4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
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N-Phenacylbenzamide
CID 259631
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
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CID 101312

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide?
The IUPAC name of N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide (CID 135033828) is N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide.
What is the SMILES notation for N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide?
The canonical SMILES for N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide is CCN(C(C)=O)[C@H](C)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide?
The InChIKey is PFKOXUTYUNCLQT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-20(15(3)21)14(2)16-10-12-18(13-11-16)19(22)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide?
N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide has a molecular weight of 295.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-benzoylphenyl)ethyl]-N-ethylacetamide is sourced from PubChem (CID 135033828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).