(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide

C31H53NO — CID 71684537

IUPAC(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C31H53NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(33)32-31-28(26(2)3)23-22-24-29(31)27(4)5/h13-14,22-24,26-27H,6-12,15-21,25H2,1-5H3,(H,32,33)/b14-13-
InChIKeyBKTMBORCFLZCDA-YPKPFQOOSA-N
MW455.77 g/mol
LogP10.30
Rot. Bonds19

About (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide

(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide (PubChem CID 71684537) has the molecular formula C31H53NO and a molecular weight of 455.77 g/mol. Its IUPAC name is (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide.

Molecular Properties

Compound Name(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
PubChem CID71684537
Molecular FormulaC31H53NO
Molecular Weight455.77 g/mol
Exact Mass455.41
IUPAC Name(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C31H53NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(33)32-31-28(26(2)3)23-22-24-29(31)27(4)5/h13-14,22-24,26-27H,6-12,15-21,25H2,1-5H3,(H,32,33)/b14-13-
InChIKeyBKTMBORCFLZCDA-YPKPFQOOSA-N
XLogP10.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.77
LogP ≤ 510.30
H-Bond Donors ≤ 51
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-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
N-[2,6-di(propan-2-yl)phenyl]-4-tetradecylsulfanylbutanamide
CID 19002325
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide
CID 22633579
N-[2,6-di(propan-2-yl)phenyl]-2-octylsulfanylacetamide
CID 15817217
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
CID 113000635
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
1-[2,6-di(propan-2-yl)phenyl]-3-dodecan-2-ylurea
CID 141032891

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide?
The IUPAC name of (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide (CID 71684537) is (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide.
What is the SMILES notation for (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide?
The canonical SMILES for (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide is CCCCCCCC/C=C\CCCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide?
The InChIKey is BKTMBORCFLZCDA-YPKPFQOOSA-N. The full InChI is InChI=1S/C31H53NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(33)32-31-28(26(2)3)23-22-24-29(31)27(4)5/h13-14,22-24,26-27H,6-12,15-21,25H2,1-5H3,(H,32,33)/b14-13-.
What are the key properties of (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide?
(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide has a molecular weight of 455.77 g/mol, XLogP of 10.30, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide is sourced from PubChem (CID 71684537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).