(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide

C15H25N3O — CID 11597698

IUPAC(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide
SMILESC[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1
InChIKeyVOBHXZCDAVEXEY-JSGCOSHPSA-N
MW263.38 g/mol
LogP1.19
Rot. Bonds8

About (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide

(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide (PubChem CID 11597698) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide
PubChem CID11597698
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide
SMILESC[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1
InChIKeyVOBHXZCDAVEXEY-JSGCOSHPSA-N
XLogP1.19
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.19
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

N,N-Diethyl-2-phenylacetamide
CID 17076
N-(2-phenylethyl)acetamide
CID 70143
Melinamide
CID 20054967
Phe-Gly
CID 6992304
Antineoplaston A10
CID 56260
L-Phenylalanyl-L-alanine
CID 5488196
3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide
CID 194777
N-(Phenylmethyl)hexadecanamide
CID 11198769
Almiramide B
CID 46237303
Leu-phe
CID 6992310
L-alanyl-L-phenylalanine
CID 96814
Val-Phe
CID 6993120

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide (CID 11597698) is (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide is C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide?
The InChIKey is VOBHXZCDAVEXEY-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide?
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide has a molecular weight of 263.38 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide is sourced from PubChem (CID 11597698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).