N-(4-methylhex-3-en-3-yl)-N-propylacetamide

C12H23NO — CID 123777307

IUPACN-(4-methylhex-3-en-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)C(CC)=C(C)CC
InChIInChI=1S/C12H23NO/c1-6-9-13(11(5)14)12(8-3)10(4)7-2/h6-9H2,1-5H3
InChIKeyFBHPVRWLHODRAG-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.34
Rot. Bonds5

About N-(4-methylhex-3-en-3-yl)-N-propylacetamide

N-(4-methylhex-3-en-3-yl)-N-propylacetamide (PubChem CID 123777307) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(4-methylhex-3-en-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(4-methylhex-3-en-3-yl)-N-propylacetamide
PubChem CID123777307
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(4-methylhex-3-en-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)C(CC)=C(C)CC
InChIInChI=1S/C12H23NO/c1-6-9-13(11(5)14)12(8-3)10(4)7-2/h6-9H2,1-5H3
InChIKeyFBHPVRWLHODRAG-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-((2R,5S)-2,3,4,5-Tetramethyl-2,5-dihydro-1H-pyrrol-1-yl)ethanone
CID 14248787
1-Ethyl-3,4,5,6-tetramethylpyridin-2-one
CID 22093020
1-(2-Propan-2-ylidenepyrrolidin-1-yl)ethanone
CID 58322144
N-(3,4-dimethylpent-3-enyl)-N-methylacetamide
CID 58435767
Acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)
CID 58582874
1-(4,5-Diethyl-2,3-dihydropyrrol-1-yl)ethanone
CID 68390471
1-(3,4-Diethyl-2,5-dihydropyrrol-1-yl)ethanone
CID 89468911
1-(4,5-Dimethyl-2,3-dihydropyrrol-1-yl)ethanone
CID 89785848
ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide
CID 91256511
1-[4,5-Di(propan-2-yl)-2,3-dihydropyrrol-1-yl]ethanone
CID 118346059
1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone
CID 123425890
N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide
CID 123722953

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhex-3-en-3-yl)-N-propylacetamide?
The IUPAC name of N-(4-methylhex-3-en-3-yl)-N-propylacetamide (CID 123777307) is N-(4-methylhex-3-en-3-yl)-N-propylacetamide.
What is the SMILES notation for N-(4-methylhex-3-en-3-yl)-N-propylacetamide?
The canonical SMILES for N-(4-methylhex-3-en-3-yl)-N-propylacetamide is CCCN(C(C)=O)C(CC)=C(C)CC.
What is the InChIKey of N-(4-methylhex-3-en-3-yl)-N-propylacetamide?
The InChIKey is FBHPVRWLHODRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-9-13(11(5)14)12(8-3)10(4)7-2/h6-9H2,1-5H3.
What are the key properties of N-(4-methylhex-3-en-3-yl)-N-propylacetamide?
N-(4-methylhex-3-en-3-yl)-N-propylacetamide has a molecular weight of 197.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhex-3-en-3-yl)-N-propylacetamide is sourced from PubChem (CID 123777307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).