(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide

C16H26N2O — CID 81433070

IUPAC(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
SMILESCC(C)CCCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-13(2)8-6-7-11-18-16(19)15(17)12-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12,17H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyUQVPKZFERHAHDB-HNNXBMFYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds8

About (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide

(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide (PubChem CID 81433070) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
PubChem CID81433070
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
SMILESCC(C)CCCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-13(2)8-6-7-11-18-16(19)15(17)12-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12,17H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyUQVPKZFERHAHDB-HNNXBMFYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
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

(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2S)-2-amino-N-[2-[6-(methylamino)hexylamino]-2-oxoethyl]-3-phenylpropanamide
CID 118485925
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide (CID 81433070) is (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide is CC(C)CCCCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide?
The InChIKey is UQVPKZFERHAHDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)8-6-7-11-18-16(19)15(17)12-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12,17H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide?
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide is sourced from PubChem (CID 81433070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).