(2S)-2-amino-3-methyl-N-octadecylpentanamide

C24H50N2O — CID 58604652

IUPAC(2S)-2-amino-3-methyl-N-octadecylpentanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C24H50N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-24(27)23(25)22(3)5-2/h22-23H,4-21,25H2,1-3H3,(H,26,27)/t22?,23-/m0/s1
InChIKeyFWXXKRKQULIXRL-WCSIJFPASA-N
MW382.68 g/mol
LogP6.74
Rot. Bonds20

About (2S)-2-amino-3-methyl-N-octadecylpentanamide

(2S)-2-amino-3-methyl-N-octadecylpentanamide (PubChem CID 58604652) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-octadecylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-octadecylpentanamide
PubChem CID58604652
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Name(2S)-2-amino-3-methyl-N-octadecylpentanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C24H50N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-24(27)23(25)22(3)5-2/h22-23H,4-21,25H2,1-3H3,(H,26,27)/t22?,23-/m0/s1
InChIKeyFWXXKRKQULIXRL-WCSIJFPASA-N
XLogP6.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.74
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-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
2-amino-3-hydroxy-N-octylbutanamide
CID 90110768
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
CID 115739288
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-octadecylpentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-octadecylpentanamide (CID 58604652) is (2S)-2-amino-3-methyl-N-octadecylpentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-octadecylpentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-octadecylpentanamide is CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-3-methyl-N-octadecylpentanamide?
The InChIKey is FWXXKRKQULIXRL-WCSIJFPASA-N. The full InChI is InChI=1S/C24H50N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-24(27)23(25)22(3)5-2/h22-23H,4-21,25H2,1-3H3,(H,26,27)/t22?,23-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-octadecylpentanamide?
(2S)-2-amino-3-methyl-N-octadecylpentanamide has a molecular weight of 382.68 g/mol, XLogP of 6.74, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-octadecylpentanamide is sourced from PubChem (CID 58604652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).