N-(2,2,4-trimethylpentyl)propanamide

C11H23NO — CID 71860184

IUPACN-(2,2,4-trimethylpentyl)propanamide
SMILESCCC(=O)NCC(C)(C)CC(C)C
InChIInChI=1S/C11H23NO/c1-6-10(13)12-8-11(4,5)7-9(2)3/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyGYCBEHKCLGRYAF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.58
Rot. Bonds5

About N-(2,2,4-trimethylpentyl)propanamide

N-(2,2,4-trimethylpentyl)propanamide (PubChem CID 71860184) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2,2,4-trimethylpentyl)propanamide.

Molecular Properties

Compound NameN-(2,2,4-trimethylpentyl)propanamide
PubChem CID71860184
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2,2,4-trimethylpentyl)propanamide
SMILESCCC(=O)NCC(C)(C)CC(C)C
InChIInChI=1S/C11H23NO/c1-6-10(13)12-8-11(4,5)7-9(2)3/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyGYCBEHKCLGRYAF-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
n-Butyl-2-methylpropanamide
CID 221968
Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
3-Ethyl-3-isopropylpyrrolidin-2-one
CID 10606999
Propanamide, N-isobutyl-2,2-dimethyl
CID 528633
Valeramide, N-isobutyl-2-propyl-
CID 211202
N-(2-Propylpentyl)ethanimidic acid
CID 218531
N-ethyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11480684
N-(3-Methylbutyl)propanamide
CID 5152799
Pentanamide, N-isobutyl
CID 528622
Butanamide, 3-methyl-N-propyl
CID 528603

Frequently Asked Questions

What is the IUPAC name of N-(2,2,4-trimethylpentyl)propanamide?
The IUPAC name of N-(2,2,4-trimethylpentyl)propanamide (CID 71860184) is N-(2,2,4-trimethylpentyl)propanamide.
What is the SMILES notation for N-(2,2,4-trimethylpentyl)propanamide?
The canonical SMILES for N-(2,2,4-trimethylpentyl)propanamide is CCC(=O)NCC(C)(C)CC(C)C.
What is the InChIKey of N-(2,2,4-trimethylpentyl)propanamide?
The InChIKey is GYCBEHKCLGRYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-10(13)12-8-11(4,5)7-9(2)3/h9H,6-8H2,1-5H3,(H,12,13).
What are the key properties of N-(2,2,4-trimethylpentyl)propanamide?
N-(2,2,4-trimethylpentyl)propanamide has a molecular weight of 185.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4-trimethylpentyl)propanamide is sourced from PubChem (CID 71860184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).