4-methyl-4-propylheptanamide

C11H23NO — CID 90273698

IUPAC4-methyl-4-propylheptanamide
SMILESCCCC(C)(CCC)CCC(N)=O
InChIInChI=1S/C11H23NO/c1-4-7-11(3,8-5-2)9-6-10(12)13/h4-9H2,1-3H3,(H2,12,13)
InChIKeyLUFPAERXIXLALM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.86
Rot. Bonds7

About 4-methyl-4-propylheptanamide

4-methyl-4-propylheptanamide (PubChem CID 90273698) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methyl-4-propylheptanamide.

Molecular Properties

Compound Name4-methyl-4-propylheptanamide
PubChem CID90273698
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methyl-4-propylheptanamide
SMILESCCCC(C)(CCC)CCC(N)=O
InChIInChI=1S/C11H23NO/c1-4-7-11(3,8-5-2)9-6-10(12)13/h4-9H2,1-3H3,(H2,12,13)
InChIKeyLUFPAERXIXLALM-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-4-pentyldecanamide
CID 155082374
4-methyl-4-propylheptanoic acid
CID 155199633
2,2-dipropylpentanediamide;hydrochloride
CID 174451437
4,4-dimethylpentanamide;hydrochloride
CID 141202343
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
2-fluoro-2-methylpentanamide
CID 134346431
butanamide
CID 141414886
ethyl 5-methyl-5-propyloctanoate
CID 134441351
4-butyl-4-hydroxyoctanamide
CID 139781323
CID 158833027
CID 158833027
butanamide;dihydrobromide
CID 140988378
N-(3-amino-3-oxopropyl)-2,2-dimethylpentanamide
CID 130272228

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propylheptanamide?
The IUPAC name of 4-methyl-4-propylheptanamide (CID 90273698) is 4-methyl-4-propylheptanamide.
What is the SMILES notation for 4-methyl-4-propylheptanamide?
The canonical SMILES for 4-methyl-4-propylheptanamide is CCCC(C)(CCC)CCC(N)=O.
What is the InChIKey of 4-methyl-4-propylheptanamide?
The InChIKey is LUFPAERXIXLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-11(3,8-5-2)9-6-10(12)13/h4-9H2,1-3H3,(H2,12,13).
What are the key properties of 4-methyl-4-propylheptanamide?
4-methyl-4-propylheptanamide has a molecular weight of 185.31 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propylheptanamide is sourced from PubChem (CID 90273698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).