N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide

C26H47NO2 — CID 20565275

IUPACN-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide
SMILESC=CCN(C(C)=O)C(=O)C1CCC(CCCCCCCCCCCCCC)CC1
InChIInChI=1S/C26H47NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-24-18-20-25(21-19-24)26(29)27(22-5-2)23(3)28/h5,24-25H,2,4,6-22H2,1,3H3
InChIKeyQMTPINBLPQTLKW-UHFFFAOYSA-N
MW405.67 g/mol
LogP7.45
Rot. Bonds16

About N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide

N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide (PubChem CID 20565275) has the molecular formula C26H47NO2 and a molecular weight of 405.67 g/mol. Its IUPAC name is N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide
PubChem CID20565275
Molecular FormulaC26H47NO2
Molecular Weight405.67 g/mol
Exact Mass405.36
IUPAC NameN-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide
SMILESC=CCN(C(C)=O)C(=O)C1CCC(CCCCCCCCCCCCCC)CC1
InChIInChI=1S/C26H47NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-24-18-20-25(21-19-24)26(29)27(22-5-2)23(3)28/h5,24-25H,2,4,6-22H2,1,3H3
InChIKeyQMTPINBLPQTLKW-UHFFFAOYSA-N
XLogP7.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 57.45
H-Bond Donors ≤ 50
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-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide?
The IUPAC name of N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide (CID 20565275) is N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide.
What is the SMILES notation for N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide?
The canonical SMILES for N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide is C=CCN(C(C)=O)C(=O)C1CCC(CCCCCCCCCCCCCC)CC1.
What is the InChIKey of N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide?
The InChIKey is QMTPINBLPQTLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-24-18-20-25(21-19-24)26(29)27(22-5-2)23(3)28/h5,24-25H,2,4,6-22H2,1,3H3.
What are the key properties of N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide?
N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide has a molecular weight of 405.67 g/mol, XLogP of 7.45, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-prop-2-enyl-4-tetradecylcyclohexane-1-carboxamide is sourced from PubChem (CID 20565275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).