acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide

C33H67N3O2 — CID 157145997

IUPACacetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide
SMILESCC(N)=O.CCCCCCCC/C=C\CCCCCCCC(CCCCCCCCC)NC(=O)CN(C)C
InChIInChI=1S/C31H62N2O.C2H5NO/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30(32-31(34)29-33(3)4)27-25-23-21-12-10-8-6-2;1-2(3)4/h16-17,30H,5-15,18-29H2,1-4H3,(H,32,34);1H3,(H2,3,4)/b17-16-;
InChIKeyAKSBOLQQHRUUDM-XYJRJTJESA-N
MW537.92 g/mol
LogP8.70
Rot. Bonds26

About acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide

acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide (PubChem CID 157145997) has the molecular formula C33H67N3O2 and a molecular weight of 537.92 g/mol. Its IUPAC name is acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide.

Molecular Properties

Compound Nameacetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide
PubChem CID157145997
Molecular FormulaC33H67N3O2
Molecular Weight537.92 g/mol
Exact Mass537.52
IUPAC Nameacetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide
SMILESCC(N)=O.CCCCCCCC/C=C\CCCCCCCC(CCCCCCCCC)NC(=O)CN(C)C
InChIInChI=1S/C31H62N2O.C2H5NO/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30(32-31(34)29-33(3)4)27-25-23-21-12-10-8-6-2;1-2(3)4/h16-17,30H,5-15,18-29H2,1-4H3,(H,32,34);1H3,(H2,3,4)/b17-16-;
InChIKeyAKSBOLQQHRUUDM-XYJRJTJESA-N
XLogP8.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.92
LogP ≤ 58.70
H-Bond Donors ≤ 52
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 acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide?
The IUPAC name of acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide (CID 157145997) is acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide.
What is the SMILES notation for acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide?
The canonical SMILES for acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide is CC(N)=O.CCCCCCCC/C=C\CCCCCCCC(CCCCCCCCC)NC(=O)CN(C)C.
What is the InChIKey of acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide?
The InChIKey is AKSBOLQQHRUUDM-XYJRJTJESA-N. The full InChI is InChI=1S/C31H62N2O.C2H5NO/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30(32-31(34)29-33(3)4)27-25-23-21-12-10-8-6-2;1-2(3)4/h16-17,30H,5-15,18-29H2,1-4H3,(H,32,34);1H3,(H2,3,4)/b17-16-;.
What are the key properties of acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide?
acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide has a molecular weight of 537.92 g/mol, XLogP of 8.70, 26 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide is sourced from PubChem (CID 157145997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).