N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide

C15H29NO — CID 58798567

IUPACN-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide
SMILESCC(=O)N(CCC/C=C\C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-13(17)16(15(5,6)7)12-10-8-9-11-14(2,3)4/h9,11H,8,10,12H2,1-7H3/b11-9-
InChIKeyNSVPWXVYTQAOLO-LUAWRHEFSA-N
MW239.40 g/mol
LogP4.02
Rot. Bonds4

About N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide

N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide (PubChem CID 58798567) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide
PubChem CID58798567
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide
SMILESCC(=O)N(CCC/C=C\C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-13(17)16(15(5,6)7)12-10-8-9-11-14(2,3)4/h9,11H,8,10,12H2,1-7H3/b11-9-
InChIKeyNSVPWXVYTQAOLO-LUAWRHEFSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide?
The IUPAC name of N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide (CID 58798567) is N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide is CC(=O)N(CCC/C=C\C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide?
The InChIKey is NSVPWXVYTQAOLO-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(17)16(15(5,6)7)12-10-8-9-11-14(2,3)4/h9,11H,8,10,12H2,1-7H3/b11-9-.
What are the key properties of N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide?
N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide has a molecular weight of 239.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide is sourced from PubChem (CID 58798567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).