undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate

C19H35NO4 — CID 6423188

IUPACundec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)OCC(C)C
InChIInChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-23-18(21)17(4)20-19(22)24-15-16(2)3/h5,16-17H,1,6-15H2,2-4H3,(H,20,22)
InChIKeyTYECULMTGDKHCN-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.61
Rot. Bonds14

About undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate

undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate (PubChem CID 6423188) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate
PubChem CID6423188
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Nameundec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)OCC(C)C
InChIInChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-23-18(21)17(4)20-19(22)24-15-16(2)3/h5,16-17H,1,6-15H2,2-4H3,(H,20,22)
InChIKeyTYECULMTGDKHCN-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

undec-10-enyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837026
undec-10-enyl 2-(butoxycarbonylamino)propanoate
CID 6423167
octadecyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837039
oct-7-enyl 2-methylpropanoate
CID 87633860
undec-10-enyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate
CID 20837345
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
undec-10-enyl 2-(furan-2-carbonylamino)propanoate
CID 6423003
2-methylpropyl pent-4-enyl carbonate
CID 91694409
undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate
CID 6424547
undec-10-enyl 2-[(2-bromobenzoyl)amino]propanoate
CID 6425548
dec-9-enyl N-(1-phenylethyl)carbamate
CID 596192
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate?
The IUPAC name of undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate (CID 6423188) is undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate.
What is the SMILES notation for undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate?
The canonical SMILES for undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate is C=CCCCCCCCCCOC(=O)C(C)NC(=O)OCC(C)C.
What is the InChIKey of undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate?
The InChIKey is TYECULMTGDKHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-23-18(21)17(4)20-19(22)24-15-16(2)3/h5,16-17H,1,6-15H2,2-4H3,(H,20,22).
What are the key properties of undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate?
undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate has a molecular weight of 341.49 g/mol, XLogP of 4.61, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate is sourced from PubChem (CID 6423188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).