undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate

C21H37NO3 — CID 6420549

IUPACundec-10-enyl 2-(cyclohexanecarbonylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)C1CCCCC1
InChIInChI=1S/C21H37NO3/c1-3-4-5-6-7-8-9-10-14-17-25-21(24)18(2)22-20(23)19-15-12-11-13-16-19/h3,18-19H,1,4-17H2,2H3,(H,22,23)
InChIKeyYXXAFGDRIZQEDU-UHFFFAOYSA-N
MW351.53 g/mol
LogP4.92
Rot. Bonds13

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

undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate (PubChem CID 6420549) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-(cyclohexanecarbonylamino)propanoate
PubChem CID6420549
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Nameundec-10-enyl 2-(cyclohexanecarbonylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)C1CCCCC1
InChIInChI=1S/C21H37NO3/c1-3-4-5-6-7-8-9-10-14-17-25-21(24)18(2)22-20(23)19-15-12-11-13-16-19/h3,18-19H,1,4-17H2,2H3,(H,22,23)
InChIKeyYXXAFGDRIZQEDU-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate (CID 6420549) is undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate is C=CCCCCCCCCCOC(=O)C(C)NC(=O)C1CCCCC1.
What is the InChIKey of undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is YXXAFGDRIZQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO3/c1-3-4-5-6-7-8-9-10-14-17-25-21(24)18(2)22-20(23)19-15-12-11-13-16-19/h3,18-19H,1,4-17H2,2H3,(H,22,23).
What are the key properties of undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate?
undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 351.53 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 6420549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).