2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide

C21H23NO — CID 2884775

IUPAC2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1CC1(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H23NO/c1-4-13-22-20(23)19-14-21(19,17-9-5-15(2)6-10-17)18-11-7-16(3)8-12-18/h4-12,19H,1,13-14H2,2-3H3,(H,22,23)
InChIKeyIWMVOIOBRDCWPN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.91
Rot. Bonds5

About 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide

2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 2884775) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID2884775
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1CC1(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H23NO/c1-4-13-22-20(23)19-14-21(19,17-9-5-15(2)6-10-17)18-11-7-16(3)8-12-18/h4-12,19H,1,13-14H2,2-3H3,(H,22,23)
InChIKeyIWMVOIOBRDCWPN-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide (CID 2884775) is 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1CC1(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is IWMVOIOBRDCWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-4-13-22-20(23)19-14-21(19,17-9-5-15(2)6-10-17)18-11-7-16(3)8-12-18/h4-12,19H,1,13-14H2,2-3H3,(H,22,23).
What are the key properties of 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide?
2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 2884775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).