N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide

C23H38N2O3 — CID 74223373

IUPACN-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O
InChIInChI=1S/C23H38N2O3/c1-3-4-5-6-7-8-9-10-11-15-18-24-23(28)21(19(2)26)25-22(27)20-16-13-12-14-17-20/h12-14,16-17,19,21,26H,3-11,15,18H2,1-2H3,(H,24,28)(H,25,27)/t19-,21+/m1/s1
InChIKeyANRUPLIPTPNTBN-CTNGQTDRSA-N
MW390.57 g/mol
LogP4.20
Rot. Bonds15

About N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide

N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide (PubChem CID 74223373) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide
PubChem CID74223373
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC NameN-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O
InChIInChI=1S/C23H38N2O3/c1-3-4-5-6-7-8-9-10-11-15-18-24-23(28)21(19(2)26)25-22(27)20-16-13-12-14-17-20/h12-14,16-17,19,21,26H,3-11,15,18H2,1-2H3,(H,24,28)(H,25,27)/t19-,21+/m1/s1
InChIKeyANRUPLIPTPNTBN-CTNGQTDRSA-N
XLogP4.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.20
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

Polymyxin B
CID 49800004
Polymyxin B1-d3
CID 4868
Polymyxin B1
CID 11228650
N-((1S,2R)-2-Hydroxy-1-((hydroxyamino)carbonyl)propyl)-4-(4-phenyl-1,3-butadiyn-1-yl)benzamide
CID 11164341
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
Spr-741
CID 53323381
(R)-N-Benzyl-2-acetamido-3-hydroxypropionamide
CID 10889901
N-benzoyl-D-alanine
CID 91514
Sulfomyxin
CID 3083710
[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(4-phenylbenzoyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
CID 24800537
[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(3-phenylbenzoyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
CID 24800540
Polymyxin Impurity 4
CID 9833652

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide (CID 74223373) is N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide is CCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O.
What is the InChIKey of N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide?
The InChIKey is ANRUPLIPTPNTBN-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-3-4-5-6-7-8-9-10-11-15-18-24-23(28)21(19(2)26)25-22(27)20-16-13-12-14-17-20/h12-14,16-17,19,21,26H,3-11,15,18H2,1-2H3,(H,24,28)(H,25,27)/t19-,21+/m1/s1.
What are the key properties of N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide?
N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide has a molecular weight of 390.57 g/mol, XLogP of 4.20, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 74223373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).