(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide

C12H25N3O2 — CID 103831039

IUPAC(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C12H25N3O2/c1-4-5-6-10(13)12(17)15-8-7-14-11(16)9(2)3/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyURZJKUJZQAULMV-JTQLQIEISA-N
MW243.35 g/mol
LogP0.39
Rot. Bonds8

About (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide

(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide (PubChem CID 103831039) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
PubChem CID103831039
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C12H25N3O2/c1-4-5-6-10(13)12(17)15-8-7-14-11(16)9(2)3/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyURZJKUJZQAULMV-JTQLQIEISA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
CID 103831075
(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
CID 103950758
(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide
CID 113304795
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
CID 103832053

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide (CID 103831039) is (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide is CCCC[C@H](N)C(=O)NCCNC(=O)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide?
The InChIKey is URZJKUJZQAULMV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-5-6-10(13)12(17)15-8-7-14-11(16)9(2)3/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide?
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide has a molecular weight of 243.35 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide is sourced from PubChem (CID 103831039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).