(4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide

C18H36N2O2 — CID 90141607

IUPAC(4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide
SMILESCCC(C[C@@H](C)C(=O)NC(C)(C)CC)C(=O)NC(C)(C)CC
InChIInChI=1S/C18H36N2O2/c1-9-14(16(22)20-18(7,8)11-3)12-13(4)15(21)19-17(5,6)10-2/h13-14H,9-12H2,1-8H3,(H,19,21)(H,20,22)/t13-,14?/m1/s1
InChIKeyAXZZQOCZJUXDRB-KWCCSABGSA-N
MW312.50 g/mol
LogP3.65
Rot. Bonds9

About (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide

(4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide (PubChem CID 90141607) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide.

Molecular Properties

Compound Name(4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide
PubChem CID90141607
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name(4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide
SMILESCCC(C[C@@H](C)C(=O)NC(C)(C)CC)C(=O)NC(C)(C)CC
InChIInChI=1S/C18H36N2O2/c1-9-14(16(22)20-18(7,8)11-3)12-13(4)15(21)19-17(5,6)10-2/h13-14H,9-12H2,1-8H3,(H,19,21)(H,20,22)/t13-,14?/m1/s1
InChIKeyAXZZQOCZJUXDRB-KWCCSABGSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[2-methyl-4,6-bis[(2-methyl-1-sulfopropan-2-yl)carbamoyl]octanoyl]amino]propane-1-sulfonic acid
CID 102423776
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-methyl-2-[[2-methyl-4-[[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]carbamoyl]hexanoyl]amino]propane-1-sulfonate
CID 140587524
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
CID 137320952
2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide
CID 123819756
2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide
CID 174243287
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
N-tert-butyl-4-ethyl-2-methyl-N'-propan-2-ylpentanediamide;butyl 2-methyl-4-(propan-2-ylcarbamoyl)hexanoate
CID 157215244
methane;2-methyl-2-(2-methylbutanoylamino)propane-1-sulfonate
CID 158726603

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide?
The IUPAC name of (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide (CID 90141607) is (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide.
What is the SMILES notation for (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide?
The canonical SMILES for (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide is CCC(C[C@@H](C)C(=O)NC(C)(C)CC)C(=O)NC(C)(C)CC.
What is the InChIKey of (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide?
The InChIKey is AXZZQOCZJUXDRB-KWCCSABGSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-9-14(16(22)20-18(7,8)11-3)12-13(4)15(21)19-17(5,6)10-2/h13-14H,9-12H2,1-8H3,(H,19,21)(H,20,22)/t13-,14?/m1/s1.
What are the key properties of (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide?
(4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide has a molecular weight of 312.50 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide is sourced from PubChem (CID 90141607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).