(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide

C17H22N2O2 — CID 95628552

IUPAC(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide
SMILESCC[C@@H](CC(=O)NC1(C#N)CCOCC1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-2-14(15-6-4-3-5-7-15)12-16(20)19-17(13-18)8-10-21-11-9-17/h3-7,14H,2,8-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyCOZRSVJEQPQYAY-AWEZNQCLSA-N
MW286.37 g/mol
LogP2.76
Rot. Bonds5

About (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide

(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide (PubChem CID 95628552) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide.

Molecular Properties

Compound Name(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide
PubChem CID95628552
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide
SMILESCC[C@@H](CC(=O)NC1(C#N)CCOCC1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-2-14(15-6-4-3-5-7-15)12-16(20)19-17(13-18)8-10-21-11-9-17/h3-7,14H,2,8-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyCOZRSVJEQPQYAY-AWEZNQCLSA-N
XLogP2.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanooxan-4-yl)-2-ethylbutanamide
CID 82287407
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
2-bromo-N-(4-cyanooxan-4-yl)benzamide
CID 82308733
2-[4-(3-phenylbutanoylamino)oxan-4-yl]acetic acid
CID 119214884
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7773143
N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 18710449
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
(3S)-3-phenylpentanoyl chloride
CID 42074098
2-methyl-3-(3-phenylpentanoylamino)propanoic acid
CID 119237250
4-[[3-(4-methoxyphenyl)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120690092
N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 95928324
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide?
The IUPAC name of (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide (CID 95628552) is (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide.
What is the SMILES notation for (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide?
The canonical SMILES for (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide is CC[C@@H](CC(=O)NC1(C#N)CCOCC1)c1ccccc1.
What is the InChIKey of (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide?
The InChIKey is COZRSVJEQPQYAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-14(15-6-4-3-5-7-15)12-16(20)19-17(13-18)8-10-21-11-9-17/h3-7,14H,2,8-12H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide?
(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide has a molecular weight of 286.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide is sourced from PubChem (CID 95628552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).