(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide

C17H23N3O — CID 2655382

IUPAC(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCCCCCC1
InChIInChI=1S/C17H23N3O/c1-14(20-11-5-3-2-4-6-12-20)17(21)19-16-9-7-15(13-18)8-10-16/h7-10,14H,2-6,11-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyVUHPNAVIEJSAEG-CQSZACIVSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds3

About (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide

(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide (PubChem CID 2655382) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
PubChem CID2655382
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCCCCCC1
InChIInChI=1S/C17H23N3O/c1-14(20-11-5-3-2-4-6-12-20)17(21)19-16-9-7-15(13-18)8-10-16/h7-10,14H,2-6,11-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyVUHPNAVIEJSAEG-CQSZACIVSA-N
XLogP3.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 2657138
(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide
CID 7431081
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide (CID 2655382) is (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide is C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCCCCCC1.
What is the InChIKey of (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide?
The InChIKey is VUHPNAVIEJSAEG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(20-11-5-3-2-4-6-12-20)17(21)19-16-9-7-15(13-18)8-10-16/h7-10,14H,2-6,11-12H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide?
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 2655382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).