(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide

C18H17N3O3 — CID 7642457

IUPAC(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
SMILESCC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H17N3O3/c1-12(18(23)21-16-5-3-4-14(10-16)11-19)24-17-8-6-15(7-9-17)20-13(2)22/h3-10,12H,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyVINYHKYUAMSVBI-LBPRGKRZSA-N
MW323.35 g/mol
LogP2.92
Rot. Bonds5

About (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide

(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide (PubChem CID 7642457) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
PubChem CID7642457
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
SMILESCC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H17N3O3/c1-12(18(23)21-16-5-3-4-14(10-16)11-19)24-17-8-6-15(7-9-17)20-13(2)22/h3-10,12H,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyVINYHKYUAMSVBI-LBPRGKRZSA-N
XLogP2.92
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 16529582
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide?
The IUPAC name of (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide (CID 7642457) is (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide is CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide?
The InChIKey is VINYHKYUAMSVBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(18(23)21-16-5-3-4-14(10-16)11-19)24-17-8-6-15(7-9-17)20-13(2)22/h3-10,12H,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide?
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide has a molecular weight of 323.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 7642457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).