N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide

C16H32N2O2 — CID 59942770

IUPACN'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide
SMILESCCC(C)NC(=O)C(C)CC(C)(CC)C(=O)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-8-13(6)18-14(19)12(5)10-16(7,9-2)15(20)17-11(3)4/h11-13H,8-10H2,1-7H3,(H,17,20)(H,18,19)
InChIKeyKMTXKZJCDNIEST-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds8

About N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide

N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide (PubChem CID 59942770) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide.

Molecular Properties

Compound NameN'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide
PubChem CID59942770
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide
SMILESCCC(C)NC(=O)C(C)CC(C)(CC)C(=O)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-8-13(6)18-14(19)12(5)10-16(7,9-2)15(20)17-11(3)4/h11-13H,8-10H2,1-7H3,(H,17,20)(H,18,19)
InChIKeyKMTXKZJCDNIEST-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dibutyl ethylhexanoyl glutamide
CID 11417726
N-(2-ethylhexyl)-3,5,5-trimethylhexanamide
CID 154734376
3-(Carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan
CID 5289290
2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide
CID 2931883
Pentamide, N-(1-methyl-2-propylpentyl)-2-propyl-
CID 3040309
1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide
CID 11339245
N,N'-dicyclohexyl-2,2-dimethylpentanediamide
CID 1238042
N1,N5-Dibutyl-2-(2-ethylhexanamido)pentanediamide
CID 71498798
2-ethyl-6-fluoro-4,4-dimethyl-5-oxo-N-propan-2-ylhexanamide
CID 132048565
4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide
CID 134482633
2,2,4,4-Tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride
CID 144742521
2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide
CID 2931594

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide?
The IUPAC name of N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide (CID 59942770) is N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide.
What is the SMILES notation for N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide?
The canonical SMILES for N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide is CCC(C)NC(=O)C(C)CC(C)(CC)C(=O)NC(C)C.
What is the InChIKey of N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide?
The InChIKey is KMTXKZJCDNIEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-8-13(6)18-14(19)12(5)10-16(7,9-2)15(20)17-11(3)4/h11-13H,8-10H2,1-7H3,(H,17,20)(H,18,19).
What are the key properties of N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide?
N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-2-ethyl-2,4-dimethyl-N-propan-2-ylpentanediamide is sourced from PubChem (CID 59942770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).