6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide

C24H38N2O — CID 91561221

IUPAC6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide
SMILESC=CCC(C=CC)C(CCC)CCC1C=CC=C(C(N)=O)C1CC/C=N/C
InChIInChI=1S/C24H38N2O/c1-5-10-19(11-6-2)20(12-7-3)16-17-21-13-8-14-23(24(25)27)22(21)15-9-18-26-4/h5-6,8,11,13-14,18-22H,1,7,9-10,12,15-17H2,2-4H3,(H2,25,27)/b11-6?,26-18+
InChIKeyXRVPMNQBQGYWCF-XMUDGKDZSA-N
MW370.58 g/mol
LogP5.65
Rot. Bonds13

About 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide

6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 91561221) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID91561221
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide
SMILESC=CCC(C=CC)C(CCC)CCC1C=CC=C(C(N)=O)C1CC/C=N/C
InChIInChI=1S/C24H38N2O/c1-5-10-19(11-6-2)20(12-7-3)16-17-21-13-8-14-23(24(25)27)22(21)15-9-18-26-4/h5-6,8,11,13-14,18-22H,1,7,9-10,12,15-17H2,2-4H3,(H2,25,27)/b11-6?,26-18+
InChIKeyXRVPMNQBQGYWCF-XMUDGKDZSA-N
XLogP5.65
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Oct-1-en-3-ylazepin-2-one
CID 150856882
3-Cycloheptyl-2-ethylpent-4-enamide;5-(iodomethyl)azepin-2-one
CID 174948638

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide (CID 91561221) is 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide is C=CCC(C=CC)C(CCC)CCC1C=CC=C(C(N)=O)C1CC/C=N/C.
What is the InChIKey of 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is XRVPMNQBQGYWCF-XMUDGKDZSA-N. The full InChI is InChI=1S/C24H38N2O/c1-5-10-19(11-6-2)20(12-7-3)16-17-21-13-8-14-23(24(25)27)22(21)15-9-18-26-4/h5-6,8,11,13-14,18-22H,1,7,9-10,12,15-17H2,2-4H3,(H2,25,27)/b11-6?,26-18+.
What are the key properties of 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide?
6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 370.58 g/mol, XLogP of 5.65, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyliminopropyl)-5-(4-prop-2-enyl-3-propylhept-5-enyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 91561221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).