N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide

C14H28N2O4 — CID 11839005

IUPACN,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
SMILESCCC(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)CC
InChIInChI=1S/C14H28N2O4/c1-5-9(3)11(7-17)15-13(19)14(20)16-12(8-18)10(4)6-2/h9-12,17-18H,5-8H2,1-4H3,(H,15,19)(H,16,20)/t9?,10?,11-,12-/m1/s1
InChIKeyLPWFXIFNLFUAHS-KIDURHIOSA-N
MW288.39 g/mol
LogP0.03
Rot. Bonds8

About N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide

N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide (PubChem CID 11839005) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
PubChem CID11839005
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
SMILESCCC(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)CC
InChIInChI=1S/C14H28N2O4/c1-5-9(3)11(7-17)15-13(19)14(20)16-12(8-18)10(4)6-2/h9-12,17-18H,5-8H2,1-4H3,(H,15,19)(H,16,20)/t9?,10?,11-,12-/m1/s1
InChIKeyLPWFXIFNLFUAHS-KIDURHIOSA-N
XLogP0.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde
CID 91339414
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide
CID 97332692
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 124863305
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 100906688
3-methyl-2-(pentan-2-ylamino)pentan-1-ol
CID 115891612
2-(heptan-4-ylamino)-3-methylpentan-1-ol
CID 115677280
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide?
The IUPAC name of N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide (CID 11839005) is N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide.
What is the SMILES notation for N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide?
The canonical SMILES for N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide is CCC(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)CC.
What is the InChIKey of N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide?
The InChIKey is LPWFXIFNLFUAHS-KIDURHIOSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-9(3)11(7-17)15-13(19)14(20)16-12(8-18)10(4)6-2/h9-12,17-18H,5-8H2,1-4H3,(H,15,19)(H,16,20)/t9?,10?,11-,12-/m1/s1.
What are the key properties of N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide?
N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide has a molecular weight of 288.39 g/mol, XLogP of 0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide is sourced from PubChem (CID 11839005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).