(2S)-2-(N-octylanilino)propanamide

C17H28N2O — CID 138373855

IUPAC(2S)-2-(N-octylanilino)propanamide
SMILESCCCCCCCCN(c1ccccc1)[C@@H](C)C(N)=O
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-7-11-14-19(15(2)17(18)20)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H2,18,20)/t15-/m0/s1
InChIKeyGSFQMACJHBPEQO-HNNXBMFYSA-N
MW276.42 g/mol
LogP3.73
Rot. Bonds10

About (2S)-2-(N-octylanilino)propanamide

(2S)-2-(N-octylanilino)propanamide (PubChem CID 138373855) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-(N-octylanilino)propanamide.

Molecular Properties

Compound Name(2S)-2-(N-octylanilino)propanamide
PubChem CID138373855
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-(N-octylanilino)propanamide
SMILESCCCCCCCCN(c1ccccc1)[C@@H](C)C(N)=O
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-7-11-14-19(15(2)17(18)20)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H2,18,20)/t15-/m0/s1
InChIKeyGSFQMACJHBPEQO-HNNXBMFYSA-N
XLogP3.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-propylanilino)propanamide
CID 63233906
octyl(phenyl)carbamic acid
CID 54301990
sodium;hydride;(2S)-2-[N-(4-sulfanylbutyl)anilino]propanoic acid
CID 173287382
N-hexyl-N-phenylacetamide
CID 13217997
benzyl 2-(N-propylanilino)propanoate
CID 174478380
2-(N-butylanilino)-3-sulfanylpropanoic acid
CID 57203359
3-(N-(1-amino-1-oxopropan-2-yl)-4-methylanilino)propanoic acid
CID 60838715
ethyl 4-[heptyl(propan-2-yl)amino]benzoate
CID 139788803
N-dodecyl-N-phenylhydroxylamine
CID 159931126
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
carbon dioxide;propan-2-yl 2-(N-butylanilino)-3-methylbutanoate
CID 162192039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-octylanilino)propanamide?
The IUPAC name of (2S)-2-(N-octylanilino)propanamide (CID 138373855) is (2S)-2-(N-octylanilino)propanamide.
What is the SMILES notation for (2S)-2-(N-octylanilino)propanamide?
The canonical SMILES for (2S)-2-(N-octylanilino)propanamide is CCCCCCCCN(c1ccccc1)[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-(N-octylanilino)propanamide?
The InChIKey is GSFQMACJHBPEQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-6-7-11-14-19(15(2)17(18)20)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H2,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(N-octylanilino)propanamide?
(2S)-2-(N-octylanilino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-octylanilino)propanamide is sourced from PubChem (CID 138373855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).