(Z)-N,N-bis(2-methylpropyl)octadec-9-enamide

C26H51NO — CID 6432882

IUPAC(Z)-N,N-bis(2-methylpropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C26H51NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24(2)3)23-25(4)5/h13-14,24-25H,6-12,15-23H2,1-5H3/b14-13-
InChIKeyCDGZMJQGBQRSFY-YPKPFQOOSA-N
MW393.70 g/mol
LogP8.16
Rot. Bonds19

About (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide

(Z)-N,N-bis(2-methylpropyl)octadec-9-enamide (PubChem CID 6432882) has the molecular formula C26H51NO and a molecular weight of 393.70 g/mol. Its IUPAC name is (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N,N-bis(2-methylpropyl)octadec-9-enamide
PubChem CID6432882
Molecular FormulaC26H51NO
Molecular Weight393.70 g/mol
Exact Mass393.40
IUPAC Name(Z)-N,N-bis(2-methylpropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C26H51NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24(2)3)23-25(4)5/h13-14,24-25H,6-12,15-23H2,1-5H3/b14-13-
InChIKeyCDGZMJQGBQRSFY-YPKPFQOOSA-N
XLogP8.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 58.16
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

N-(3-(Dimethylamino)propyl)oleamide
CID 6436063
Stearyl erucamide
CID 6436363
Linoleamidopropyl Dimethylamine
CID 16745071
Oleyl palmitamide
CID 6436436
N,N-Dimethyloleamide
CID 5356959
9-Octadecenamide, N-(9Z)-9-octadecen-1-yl-, (9Z)-
CID 6442040
(9Z)-N-(9Z)-9-Octadecen-1-yl-9-octadecenamide
CID 51341857
N,N-diethyl arachidonoyl amine
CID 5283409
N-(4-Aminobutyl)oleamide
CID 86745897
Oleoyl ethylamide
CID 44270319
(9Z)-1-(1-Piperidinyl)-9-octadecen-1-one
CID 5356538
9-Octadecenamide, N,N-dibutyl-, (9Z)-
CID 6436342

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide?
The IUPAC name of (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide (CID 6432882) is (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide?
The canonical SMILES for (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide?
The InChIKey is CDGZMJQGBQRSFY-YPKPFQOOSA-N. The full InChI is InChI=1S/C26H51NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24(2)3)23-25(4)5/h13-14,24-25H,6-12,15-23H2,1-5H3/b14-13-.
What are the key properties of (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide?
(Z)-N,N-bis(2-methylpropyl)octadec-9-enamide has a molecular weight of 393.70 g/mol, XLogP of 8.16, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-bis(2-methylpropyl)octadec-9-enamide is sourced from PubChem (CID 6432882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).