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

C12H25NO — CID 3016598

IUPACN,2-diethyl-3-methyl-2-propan-2-ylbutanamide
SMILESCCNC(=O)C(CC)(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-7-12(9(3)4,10(5)6)11(14)13-8-2/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyPCOMMNVANAQDMV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.83
Rot. Bonds5

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

N,2-diethyl-3-methyl-2-propan-2-ylbutanamide (PubChem CID 3016598) has the molecular formula C12H25NO and a molecular weight of 199.34 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 CID3016598
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,2-diethyl-3-methyl-2-propan-2-ylbutanamide
SMILESCCNC(=O)C(CC)(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-7-12(9(3)4,10(5)6)11(14)13-8-2/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyPCOMMNVANAQDMV-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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 3016598) 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.
What is the InChIKey of N,2-diethyl-3-methyl-2-propan-2-ylbutanamide?
The InChIKey is PCOMMNVANAQDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-12(9(3)4,10(5)6)11(14)13-8-2/h9-10H,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 199.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 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 3016598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).