N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide

C20H22N2O2 — CID 18588550

IUPACN-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-14-21-19(23)20(24)22-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-12,18H,1,13-15H2,(H,21,23)(H,22,24)
InChIKeyFNMQEXNCBRQIIH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.63
Rot. Bonds7

About N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide

N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide (PubChem CID 18588550) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide
PubChem CID18588550
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-14-21-19(23)20(24)22-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-12,18H,1,13-15H2,(H,21,23)(H,22,24)
InChIKeyFNMQEXNCBRQIIH-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide (CID 18588550) is N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide?
The InChIKey is FNMQEXNCBRQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-14-21-19(23)20(24)22-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-12,18H,1,13-15H2,(H,21,23)(H,22,24).
What are the key properties of N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide?
N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide has a molecular weight of 322.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-N'-prop-2-enyloxamide is sourced from PubChem (CID 18588550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).