(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide

C18H27NO2 — CID 93488429

IUPAC(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-3-15-10-8-9-13-17(15)21-14(2)18(20)19-16-11-6-4-5-7-12-16/h8-10,13-14,16H,3-7,11-12H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUSNSFQWXTJTBFH-AWEZNQCLSA-N
MW289.42 g/mol
LogP3.86
Rot. Bonds5

About (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide

(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide (PubChem CID 93488429) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
PubChem CID93488429
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-3-15-10-8-9-13-17(15)21-14(2)18(20)19-16-11-6-4-5-7-12-16/h8-10,13-14,16H,3-7,11-12H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUSNSFQWXTJTBFH-AWEZNQCLSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[2-(2-hydroxyethyl)phenoxy]propanamide
CID 107713127
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099
N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503517
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide (CID 93488429) is (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide is CCc1ccccc1O[C@@H](C)C(=O)NC1CCCCCC1.
What is the InChIKey of (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide?
The InChIKey is USNSFQWXTJTBFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-15-10-8-9-13-17(15)21-14(2)18(20)19-16-11-6-4-5-7-12-16/h8-10,13-14,16H,3-7,11-12H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide?
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 93488429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).