tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate

C24H43NO3 — CID 163319792

IUPACtert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate
SMILESC/C=C(\C)CCCCCC(=O)N(CCCCC/C=C\CC)C(=O)OC(C)(C)C
InChIInChI=1S/C24H43NO3/c1-7-9-10-11-12-13-17-20-25(23(27)28-24(4,5)6)22(26)19-16-14-15-18-21(3)8-2/h8-10H,7,11-20H2,1-6H3/b10-9-,21-8+
InChIKeyMLZMAVPVEWAPLQ-WMTJPDOVSA-N
MW393.61 g/mol
LogP7.19
Rot. Bonds13

About tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate

tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate (PubChem CID 163319792) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate
PubChem CID163319792
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Nametert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate
SMILESC/C=C(\C)CCCCCC(=O)N(CCCCC/C=C\CC)C(=O)OC(C)(C)C
InChIInChI=1S/C24H43NO3/c1-7-9-10-11-12-13-17-20-25(23(27)28-24(4,5)6)22(26)19-16-14-15-18-21(3)8-2/h8-10H,7,11-20H2,1-6H3/b10-9-,21-8+
InChIKeyMLZMAVPVEWAPLQ-WMTJPDOVSA-N
XLogP7.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate (CID 163319792) is tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate is C/C=C(\C)CCCCCC(=O)N(CCCCC/C=C\CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate?
The InChIKey is MLZMAVPVEWAPLQ-WMTJPDOVSA-N. The full InChI is InChI=1S/C24H43NO3/c1-7-9-10-11-12-13-17-20-25(23(27)28-24(4,5)6)22(26)19-16-14-15-18-21(3)8-2/h8-10H,7,11-20H2,1-6H3/b10-9-,21-8+.
What are the key properties of tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate?
tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate has a molecular weight of 393.61 g/mol, XLogP of 7.19, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-7-methylnon-7-enoyl]-N-[(Z)-non-6-enyl]carbamate is sourced from PubChem (CID 163319792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).