N,2-diethyl-3-methyl-2-propan-2-ylbutanamide

C24H50N2O2 — CID 141274919

IUPACN,2-diethyl-3-methyl-2-propan-2-ylbutanamide
SMILESCCNC(=O)C(CC)(C(C)C)C(C)C.CCNC(=O)C(CC)(C(C)C)C(C)C
InChIInChI=1S/2C12H25NO/c2*1-7-12(9(3)4,10(5)6)11(14)13-8-2/h2*9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyWIVKUUJHEXFFRN-UHFFFAOYSA-N
MW398.68 g/mol
LogP5.66
Rot. Bonds10

About N,2-diethyl-3-methyl-2-propan-2-ylbutanamide

N,2-diethyl-3-methyl-2-propan-2-ylbutanamide (PubChem CID 141274919) has the molecular formula C24H50N2O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is N,2-diethyl-3-methyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN,2-diethyl-3-methyl-2-propan-2-ylbutanamide
PubChem CID141274919
Molecular FormulaC24H50N2O2
Molecular Weight398.68 g/mol
Exact Mass398.39
IUPAC NameN,2-diethyl-3-methyl-2-propan-2-ylbutanamide
SMILESCCNC(=O)C(CC)(C(C)C)C(C)C.CCNC(=O)C(CC)(C(C)C)C(C)C
InChIInChI=1S/2C12H25NO/c2*1-7-12(9(3)4,10(5)6)11(14)13-8-2/h2*9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyWIVKUUJHEXFFRN-UHFFFAOYSA-N
XLogP5.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-methyl-2-propan-2-ylbutanamide?
The IUPAC name of N,2-diethyl-3-methyl-2-propan-2-ylbutanamide (CID 141274919) is N,2-diethyl-3-methyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N,2-diethyl-3-methyl-2-propan-2-ylbutanamide?
The canonical SMILES for N,2-diethyl-3-methyl-2-propan-2-ylbutanamide is CCNC(=O)C(CC)(C(C)C)C(C)C.CCNC(=O)C(CC)(C(C)C)C(C)C.
What is the InChIKey of N,2-diethyl-3-methyl-2-propan-2-ylbutanamide?
The InChIKey is WIVKUUJHEXFFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25NO/c2*1-7-12(9(3)4,10(5)6)11(14)13-8-2/h2*9-10H,7-8H2,1-6H3,(H,13,14).
What are the key properties of N,2-diethyl-3-methyl-2-propan-2-ylbutanamide?
N,2-diethyl-3-methyl-2-propan-2-ylbutanamide has a molecular weight of 398.68 g/mol, XLogP of 5.66, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3-methyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 141274919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).