N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide

C21H38N2O2 — CID 91206718

IUPACN,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide
SMILESC=CCC(CC=CCCCCCCCC)(C(=O)NCC)C(=O)NCC
InChIInChI=1S/C21H38N2O2/c1-5-9-10-11-12-13-14-15-16-18-21(17-6-2,19(24)22-7-3)20(25)23-8-4/h6,15-16H,2,5,7-14,17-18H2,1,3-4H3,(H,22,24)(H,23,25)
InChIKeyPSOAUQOEPSUOQD-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.52
Rot. Bonds15

About N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide

N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide (PubChem CID 91206718) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide.

Molecular Properties

Compound NameN,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide
PubChem CID91206718
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC NameN,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide
SMILESC=CCC(CC=CCCCCCCCC)(C(=O)NCC)C(=O)NCC
InChIInChI=1S/C21H38N2O2/c1-5-9-10-11-12-13-14-15-16-18-21(17-6-2,19(24)22-7-3)20(25)23-8-4/h6,15-16H,2,5,7-14,17-18H2,1,3-4H3,(H,22,24)(H,23,25)
InChIKeyPSOAUQOEPSUOQD-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.52
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'}

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Related Compounds

(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
(4Z)-dodeca-1,4-diene
CID 12525542
acetic acid;(5Z)-dodeca-1,5-diene
CID 174529937
triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentaconta-1,25-diene
CID 90941740
pentacosa-1,16-diene
CID 57082437
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
heptadeca-1,7-diene
CID 57204265

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide?
The IUPAC name of N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide (CID 91206718) is N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide.
What is the SMILES notation for N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide?
The canonical SMILES for N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide is C=CCC(CC=CCCCCCCCC)(C(=O)NCC)C(=O)NCC.
What is the InChIKey of N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide?
The InChIKey is PSOAUQOEPSUOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-5-9-10-11-12-13-14-15-16-18-21(17-6-2,19(24)22-7-3)20(25)23-8-4/h6,15-16H,2,5,7-14,17-18H2,1,3-4H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide?
N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide has a molecular weight of 350.55 g/mol, XLogP of 4.52, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-prop-2-enyl-2-undec-2-enylpropanediamide is sourced from PubChem (CID 91206718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).