3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide

C17H19NO3 — CID 100803554

IUPAC3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cccc([C@H](C)O)c2)c1
InChIInChI=1S/C17H19NO3/c1-3-21-16-9-5-7-14(11-16)17(20)18-15-8-4-6-13(10-15)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyFTMXOJFCTJFICS-LBPRGKRZSA-N
MW285.34 g/mol
LogP3.39
Rot. Bonds5

About 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide

3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide (PubChem CID 100803554) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
PubChem CID100803554
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cccc([C@H](C)O)c2)c1
InChIInChI=1S/C17H19NO3/c1-3-21-16-9-5-7-14(11-16)17(20)18-15-8-4-6-13(10-15)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyFTMXOJFCTJFICS-LBPRGKRZSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841380
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
CID 35704432
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
2-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 43508405
N-(3-butan-2-ylphenyl)-3-methoxybenzamide
CID 139481676
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide (CID 100803554) is 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide is CCOc1cccc(C(=O)Nc2cccc([C@H](C)O)c2)c1.
What is the InChIKey of 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The InChIKey is FTMXOJFCTJFICS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-16-9-5-7-14(11-16)17(20)18-15-8-4-6-13(10-15)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide has a molecular weight of 285.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide is sourced from PubChem (CID 100803554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).