N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide

C22H26N2O2 — CID 3535628

IUPACN,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide
SMILESC=CCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-4-11-20(21(25)23-16(2)18-12-7-5-8-13-18)22(26)24-17(3)19-14-9-6-10-15-19/h4-10,12-17,20H,1,11H2,2-3H3,(H,23,25)(H,24,26)
InChIKeyNLZCBGJMOFLKPE-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.93
Rot. Bonds8

About N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide

N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide (PubChem CID 3535628) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide
PubChem CID3535628
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide
SMILESC=CCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-4-11-20(21(25)23-16(2)18-12-7-5-8-13-18)22(26)24-17(3)19-14-9-6-10-15-19/h4-10,12-17,20H,1,11H2,2-3H3,(H,23,25)(H,24,26)
InChIKeyNLZCBGJMOFLKPE-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide?
The IUPAC name of N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide (CID 3535628) is N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide.
What is the SMILES notation for N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide?
The canonical SMILES for N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide is C=CCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide?
The InChIKey is NLZCBGJMOFLKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-11-20(21(25)23-16(2)18-12-7-5-8-13-18)22(26)24-17(3)19-14-9-6-10-15-19/h4-10,12-17,20H,1,11H2,2-3H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide?
N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide has a molecular weight of 350.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-phenylethyl)-2-prop-2-enylpropanediamide is sourced from PubChem (CID 3535628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).