4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide

C17H19NO2 — CID 93040826

IUPAC4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-13-4-6-15(7-5-13)17(20)18-16-10-8-14(9-11-16)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyITLXIIGJDNODDY-LBPRGKRZSA-N
MW269.34 g/mol
LogP3.55
Rot. Bonds4

About 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide

4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide (PubChem CID 93040826) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
PubChem CID93040826
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-13-4-6-15(7-5-13)17(20)18-16-10-8-14(9-11-16)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyITLXIIGJDNODDY-LBPRGKRZSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide
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4-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
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4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide (CID 93040826) is 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The InChIKey is ITLXIIGJDNODDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-13-4-6-15(7-5-13)17(20)18-16-10-8-14(9-11-16)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide?
4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide is sourced from PubChem (CID 93040826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).