(Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane

C38H75NO — CID 174851085

IUPAC(Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)C.CCCCCCCCCCCCCC1CC1(C)C
InChIInChI=1S/C20H39NO.C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(17,2)3/h11-12H,4-10,13-19H2,1-3H3;17H,4-16H2,1-3H3/b12-11-;
InChIKeyMUXCXTQWLSYUBU-AFEZEDKISA-N
MW562.02 g/mol
LogP12.85
Rot. Bonds27

About (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane

(Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane (PubChem CID 174851085) has the molecular formula C38H75NO and a molecular weight of 562.02 g/mol. Its IUPAC name is (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane.

Molecular Properties

Compound Name(Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane
PubChem CID174851085
Molecular FormulaC38H75NO
Molecular Weight562.02 g/mol
Exact Mass561.58
IUPAC Name(Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)C.CCCCCCCCCCCCCC1CC1(C)C
InChIInChI=1S/C20H39NO.C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(17,2)3/h11-12H,4-10,13-19H2,1-3H3;17H,4-16H2,1-3H3/b12-11-;
InChIKeyMUXCXTQWLSYUBU-AFEZEDKISA-N
XLogP12.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.02
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
CID 174485021
(E)-N,N-dimethyldec-4-enamide
CID 13308680
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N,N-dimethylnon-6-enamide
CID 76781952
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N,N-dimethyldodecanamide;hydrochloride
CID 173149987

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane?
The IUPAC name of (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane (CID 174851085) is (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane.
What is the SMILES notation for (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane?
The canonical SMILES for (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane is CCCCCCCC/C=C\CCCCCCCC(=O)N(C)C.CCCCCCCCCCCCCC1CC1(C)C.
What is the InChIKey of (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane?
The InChIKey is MUXCXTQWLSYUBU-AFEZEDKISA-N. The full InChI is InChI=1S/C20H39NO.C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(17,2)3/h11-12H,4-10,13-19H2,1-3H3;17H,4-16H2,1-3H3/b12-11-;.
What are the key properties of (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane?
(Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane has a molecular weight of 562.02 g/mol, XLogP of 12.85, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane is sourced from PubChem (CID 174851085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).