2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide

C22H42N2O2 — CID 87764829

IUPAC2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide
SMILESC=CCC(C(=O)NCC)(C(=O)NCC)C(C)CCCCCCCCCC
InChIInChI=1S/C22H42N2O2/c1-6-10-11-12-13-14-15-16-17-19(5)22(18-7-2,20(25)23-8-3)21(26)24-9-4/h7,19H,2,6,8-18H2,1,3-5H3,(H,23,25)(H,24,26)
InChIKeyTTWSDHFQCIZWQR-UHFFFAOYSA-N
MW366.59 g/mol
LogP4.99
Rot. Bonds16

About 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide

2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide (PubChem CID 87764829) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide.

Molecular Properties

Compound Name2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide
PubChem CID87764829
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide
SMILESC=CCC(C(=O)NCC)(C(=O)NCC)C(C)CCCCCCCCCC
InChIInChI=1S/C22H42N2O2/c1-6-10-11-12-13-14-15-16-17-19(5)22(18-7-2,20(25)23-8-3)21(26)24-9-4/h7,19H,2,6,8-18H2,1,3-5H3,(H,23,25)(H,24,26)
InChIKeyTTWSDHFQCIZWQR-UHFFFAOYSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide?
The IUPAC name of 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide (CID 87764829) is 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide.
What is the SMILES notation for 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide?
The canonical SMILES for 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide is C=CCC(C(=O)NCC)(C(=O)NCC)C(C)CCCCCCCCCC.
What is the InChIKey of 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide?
The InChIKey is TTWSDHFQCIZWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-6-10-11-12-13-14-15-16-17-19(5)22(18-7-2,20(25)23-8-3)21(26)24-9-4/h7,19H,2,6,8-18H2,1,3-5H3,(H,23,25)(H,24,26).
What are the key properties of 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide?
2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide has a molecular weight of 366.59 g/mol, XLogP of 4.99, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecan-2-yl-N,N'-diethyl-2-prop-2-enylpropanediamide is sourced from PubChem (CID 87764829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).