N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide

C15H29NO2 — CID 123600711

IUPACN-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide
SMILESCC=CC(C)(C)CCOCC(C)CCNC(C)=O
InChIInChI=1S/C15H29NO2/c1-6-8-15(4,5)9-11-18-12-13(2)7-10-16-14(3)17/h6,8,13H,7,9-12H2,1-5H3,(H,16,17)
InChIKeyQKGREMQSLCBTFV-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.16
Rot. Bonds9

About N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide

N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide (PubChem CID 123600711) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide
PubChem CID123600711
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide
SMILESCC=CC(C)(C)CCOCC(C)CCNC(C)=O
InChIInChI=1S/C15H29NO2/c1-6-8-15(4,5)9-11-18-12-13(2)7-10-16-14(3)17/h6,8,13H,7,9-12H2,1-5H3,(H,16,17)
InChIKeyQKGREMQSLCBTFV-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide?
The IUPAC name of N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide (CID 123600711) is N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide.
What is the SMILES notation for N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide?
The canonical SMILES for N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide is CC=CC(C)(C)CCOCC(C)CCNC(C)=O.
What is the InChIKey of N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide?
The InChIKey is QKGREMQSLCBTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-8-15(4,5)9-11-18-12-13(2)7-10-16-14(3)17/h6,8,13H,7,9-12H2,1-5H3,(H,16,17).
What are the key properties of N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide?
N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide has a molecular weight of 255.40 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylhex-4-enoxy)-3-methylbutyl]acetamide is sourced from PubChem (CID 123600711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).