3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide

C15H23NO2 — CID 91023998

IUPAC3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
SMILESCCOc1cccc(C(=O)N[C@@H](C)[C@H](C)CC)c1
InChIInChI=1S/C15H23NO2/c1-5-11(3)12(4)16-15(17)13-8-7-9-14(10-13)18-6-2/h7-12H,5-6H2,1-4H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyCKMZKGIBCHVOIK-NEPJUHHUSA-N
MW249.35 g/mol
LogP3.25
Rot. Bonds6

About 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide

3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide (PubChem CID 91023998) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
PubChem CID91023998
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
SMILESCCOc1cccc(C(=O)N[C@@H](C)[C@H](C)CC)c1
InChIInChI=1S/C15H23NO2/c1-5-11(3)12(4)16-15(17)13-8-7-9-14(10-13)18-6-2/h7-12H,5-6H2,1-4H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyCKMZKGIBCHVOIK-NEPJUHHUSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde
CID 159762229
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
(2S,3S)-2-[[3-(2-methoxy-2-oxoethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119194080
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide (CID 91023998) is 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide is CCOc1cccc(C(=O)N[C@@H](C)[C@H](C)CC)c1.
What is the InChIKey of 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide?
The InChIKey is CKMZKGIBCHVOIK-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11(3)12(4)16-15(17)13-8-7-9-14(10-13)18-6-2/h7-12H,5-6H2,1-4H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide?
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide has a molecular weight of 249.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide is sourced from PubChem (CID 91023998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).