(Z)-2-tetradecylbut-2-enediamide

C18H34N2O2 — CID 174956271

IUPAC(Z)-2-tetradecylbut-2-enediamide
SMILESCCCCCCCCCCCCCC/C(=C/C(N)=O)C(N)=O
InChIInChI=1S/C18H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(20)22)15-17(19)21/h15H,2-14H2,1H3,(H2,19,21)(H2,20,22)/b16-15-
InChIKeyHHNYLFKBWYRHLX-NXVVXOECSA-N
MW310.48 g/mol
LogP3.97
Rot. Bonds15

About (Z)-2-tetradecylbut-2-enediamide

(Z)-2-tetradecylbut-2-enediamide (PubChem CID 174956271) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is (Z)-2-tetradecylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-2-tetradecylbut-2-enediamide
PubChem CID174956271
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name(Z)-2-tetradecylbut-2-enediamide
SMILESCCCCCCCCCCCCCC/C(=C/C(N)=O)C(N)=O
InChIInChI=1S/C18H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(20)22)15-17(19)21/h15H,2-14H2,1H3,(H2,19,21)(H2,20,22)/b16-15-
InChIKeyHHNYLFKBWYRHLX-NXVVXOECSA-N
XLogP3.97
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-octadecylbut-2-enediamide
CID 73412414
aziridin-2-one;2-dodecylbut-2-enediamide
CID 173362709
2-ethylideneoctadecanamide
CID 141119567
3-methylpentadec-2-enamide
CID 174903366
2-dodecylpentadec-2-enamide
CID 173002797
2-nonylidenedodecanediamide
CID 154630805
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
octadecanamide;zinc
CID 87169213
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414

Frequently Asked Questions

What is the IUPAC name of (Z)-2-tetradecylbut-2-enediamide?
The IUPAC name of (Z)-2-tetradecylbut-2-enediamide (CID 174956271) is (Z)-2-tetradecylbut-2-enediamide.
What is the SMILES notation for (Z)-2-tetradecylbut-2-enediamide?
The canonical SMILES for (Z)-2-tetradecylbut-2-enediamide is CCCCCCCCCCCCCC/C(=C/C(N)=O)C(N)=O.
What is the InChIKey of (Z)-2-tetradecylbut-2-enediamide?
The InChIKey is HHNYLFKBWYRHLX-NXVVXOECSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(20)22)15-17(19)21/h15H,2-14H2,1H3,(H2,19,21)(H2,20,22)/b16-15-.
What are the key properties of (Z)-2-tetradecylbut-2-enediamide?
(Z)-2-tetradecylbut-2-enediamide has a molecular weight of 310.48 g/mol, XLogP of 3.97, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tetradecylbut-2-enediamide is sourced from PubChem (CID 174956271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).