N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide

C17H31NO3 — CID 177343819

IUPACN-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide
SMILESC=C(OC(C)C(C)=O)C(CC(C)C)N(C)C(=O)CCCC
InChIInChI=1S/C17H31NO3/c1-8-9-10-17(20)18(7)16(11-12(2)3)15(6)21-14(5)13(4)19/h12,14,16H,6,8-11H2,1-5,7H3
InChIKeyQICFEQOHCCTCJK-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.56
Rot. Bonds10

About N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide

N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide (PubChem CID 177343819) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide.

Molecular Properties

Compound NameN-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide
PubChem CID177343819
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC NameN-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide
SMILESC=C(OC(C)C(C)=O)C(CC(C)C)N(C)C(=O)CCCC
InChIInChI=1S/C17H31NO3/c1-8-9-10-17(20)18(7)16(11-12(2)3)15(6)21-14(5)13(4)19/h12,14,16H,6,8-11H2,1-5,7H3
InChIKeyQICFEQOHCCTCJK-UHFFFAOYSA-N
XLogP3.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide?
The IUPAC name of N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide (CID 177343819) is N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide.
What is the SMILES notation for N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide?
The canonical SMILES for N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide is C=C(OC(C)C(C)=O)C(CC(C)C)N(C)C(=O)CCCC.
What is the InChIKey of N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide?
The InChIKey is QICFEQOHCCTCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-8-9-10-17(20)18(7)16(11-12(2)3)15(6)21-14(5)13(4)19/h12,14,16H,6,8-11H2,1-5,7H3.
What are the key properties of N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide?
N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide has a molecular weight of 297.44 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide is sourced from PubChem (CID 177343819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).