2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide

C20H37NO3 — CID 70211952

IUPAC2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide
SMILESCCCCCCCC/C=C\CCCCCCC1(C(N)=O)OCCO1
InChIInChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19(21)22)23-17-18-24-20/h9-10H,2-8,11-18H2,1H3,(H2,21,22)/b10-9-
InChIKeyDJZAHNSLCGUOLQ-KTKRTIGZSA-N
MW339.52 g/mol
LogP4.86
Rot. Bonds15

About 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide

2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide (PubChem CID 70211952) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide.

Molecular Properties

Compound Name2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide
PubChem CID70211952
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide
SMILESCCCCCCCC/C=C\CCCCCCC1(C(N)=O)OCCO1
InChIInChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19(21)22)23-17-18-24-20/h9-10H,2-8,11-18H2,1H3,(H2,21,22)/b10-9-
InChIKeyDJZAHNSLCGUOLQ-KTKRTIGZSA-N
XLogP4.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.86
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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Related Compounds

2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
acetic acid;(E)-tetradec-7-ene
CID 174697247
octadec-9-enamide
CID 75990485
(E)-icos-11-enamide
CID 5365373
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
nonadec-3-enamide
CID 54215031
(Z)-(113C)octadec-9-enamide
CID 175811454
carbamic acid;methane;(Z)-tetradec-5-ene
CID 174913616
carbonic acid;(Z)-octadec-9-ene
CID 87599003
indigane;(Z)-octadec-9-enamide
CID 174921402

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide?
The IUPAC name of 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide (CID 70211952) is 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide.
What is the SMILES notation for 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide?
The canonical SMILES for 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide is CCCCCCCC/C=C\CCCCCCC1(C(N)=O)OCCO1.
What is the InChIKey of 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide?
The InChIKey is DJZAHNSLCGUOLQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19(21)22)23-17-18-24-20/h9-10H,2-8,11-18H2,1H3,(H2,21,22)/b10-9-.
What are the key properties of 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide?
2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 4.86, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide is sourced from PubChem (CID 70211952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).