(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide

C21H27NO2 — CID 40547684

IUPAC(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H27NO2/c1-3-5-11-18(4-2)21(23)22-19-12-14-20(15-13-19)24-16-17-9-7-6-8-10-17/h6-10,12-15,18H,3-5,11,16H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyATTPBKUJDOVWOL-SFHVURJKSA-N
MW325.45 g/mol
LogP5.42
Rot. Bonds9

About (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide

(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide (PubChem CID 40547684) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide
PubChem CID40547684
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H27NO2/c1-3-5-11-18(4-2)21(23)22-19-12-14-20(15-13-19)24-16-17-9-7-6-8-10-17/h6-10,12-15,18H,3-5,11,16H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyATTPBKUJDOVWOL-SFHVURJKSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
N-benzyl-4-(2-ethylhexanoylamino)benzamide
CID 546715
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide
CID 133246665
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 46771146
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide?
The IUPAC name of (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide (CID 40547684) is (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide.
What is the SMILES notation for (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide?
The canonical SMILES for (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide is CCCC[C@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide?
The InChIKey is ATTPBKUJDOVWOL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-5-11-18(4-2)21(23)22-19-12-14-20(15-13-19)24-16-17-9-7-6-8-10-17/h6-10,12-15,18H,3-5,11,16H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide?
(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide has a molecular weight of 325.45 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide is sourced from PubChem (CID 40547684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).