2-amino-N-octan-2-yl-3-phenylpropanamide

C17H28N2O — CID 43711429

IUPAC2-amino-N-octan-2-yl-3-phenylpropanamide
SMILESCCCCCCC(C)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-4-5-7-10-14(2)19-17(20)16(18)13-15-11-8-6-9-12-15/h6,8-9,11-12,14,16H,3-5,7,10,13,18H2,1-2H3,(H,19,20)
InChIKeySYXKCESWXSWBHN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.03
Rot. Bonds9

About 2-amino-N-octan-2-yl-3-phenylpropanamide

2-amino-N-octan-2-yl-3-phenylpropanamide (PubChem CID 43711429) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-N-octan-2-yl-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-octan-2-yl-3-phenylpropanamide
PubChem CID43711429
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-N-octan-2-yl-3-phenylpropanamide
SMILESCCCCCCC(C)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-4-5-7-10-14(2)19-17(20)16(18)13-15-11-8-6-9-12-15/h6,8-9,11-12,14,16H,3-5,7,10,13,18H2,1-2H3,(H,19,20)
InChIKeySYXKCESWXSWBHN-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
N-(6-aminohexan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 145185953
2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
CID 113264230
2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4,7-dimethyl-6-oxo-5-pentyltetradecanamide
CID 174993412
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-octan-2-yl-3-phenylpropanamide?
The IUPAC name of 2-amino-N-octan-2-yl-3-phenylpropanamide (CID 43711429) is 2-amino-N-octan-2-yl-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-octan-2-yl-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-octan-2-yl-3-phenylpropanamide is CCCCCCC(C)NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-octan-2-yl-3-phenylpropanamide?
The InChIKey is SYXKCESWXSWBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-7-10-14(2)19-17(20)16(18)13-15-11-8-6-9-12-15/h6,8-9,11-12,14,16H,3-5,7,10,13,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-octan-2-yl-3-phenylpropanamide?
2-amino-N-octan-2-yl-3-phenylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-octan-2-yl-3-phenylpropanamide is sourced from PubChem (CID 43711429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).