N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide

C22H44N2O4 — CID 23141081

IUPACN,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide
SMILESCCC(O)(CC)C(NC(=O)C(=O)NC(C(C)(C)C)C(O)(CC)CC)C(C)(C)C
InChIInChI=1S/C22H44N2O4/c1-11-21(27,12-2)17(19(5,6)7)23-15(25)16(26)24-18(20(8,9)10)22(28,13-3)14-4/h17-18,27-28H,11-14H2,1-10H3,(H,23,25)(H,24,26)
InChIKeyNTYGFTPSRGUVLC-UHFFFAOYSA-N
MW400.60 g/mol
LogP3.15
Rot. Bonds8

About N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide

N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide (PubChem CID 23141081) has the molecular formula C22H44N2O4 and a molecular weight of 400.60 g/mol. Its IUPAC name is N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide
PubChem CID23141081
Molecular FormulaC22H44N2O4
Molecular Weight400.60 g/mol
Exact Mass400.33
IUPAC NameN,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide
SMILESCCC(O)(CC)C(NC(=O)C(=O)NC(C(C)(C)C)C(O)(CC)CC)C(C)(C)C
InChIInChI=1S/C22H44N2O4/c1-11-21(27,12-2)17(19(5,6)7)23-15(25)16(26)24-18(20(8,9)10)22(28,13-3)14-4/h17-18,27-28H,11-14H2,1-10H3,(H,23,25)(H,24,26)
InChIKeyNTYGFTPSRGUVLC-UHFFFAOYSA-N
XLogP3.15
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 53.15
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

N,N'-bis[(3R)-4-hydroxy-2,2-dimethyl-4-propylheptan-3-yl]-2,2-dimethylpropanediamide
CID 87652764
N,N'-bis[(3R)-4-ethyl-4-hydroxy-2-methylhexan-3-yl]propanediamide
CID 87654322
3-ethyl-2,5,6,6-tetramethylheptan-3-ol
CID 156689233
3-ethyl-3-hydroxy-2-methylpentanoic acid
CID 13460237
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate
CID 62395625
1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
CID 115585870
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969
tert-butyl N-[3-(chloromethyl)-3-hydroxy-2-methylpentyl]carbamate
CID 123879996
N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106356781
N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide
CID 87653467
N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide?
The IUPAC name of N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide (CID 23141081) is N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide.
What is the SMILES notation for N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide?
The canonical SMILES for N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide is CCC(O)(CC)C(NC(=O)C(=O)NC(C(C)(C)C)C(O)(CC)CC)C(C)(C)C.
What is the InChIKey of N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide?
The InChIKey is NTYGFTPSRGUVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O4/c1-11-21(27,12-2)17(19(5,6)7)23-15(25)16(26)24-18(20(8,9)10)22(28,13-3)14-4/h17-18,27-28H,11-14H2,1-10H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide?
N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide has a molecular weight of 400.60 g/mol, XLogP of 3.15, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-ethyl-4-hydroxy-2,2-dimethylhexan-3-yl)oxamide is sourced from PubChem (CID 23141081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).