N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C20H22N2O — CID 25250653

IUPACN-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCC/C(C)=N/NC(=O)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-3-15(2)21-22-19(23)18-14-20(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3,(H,22,23)/b21-15+
InChIKeyKJVUUKRIXROCOT-RCCKNPSSSA-N
MW306.41 g/mol
LogP3.89
Rot. Bonds5

About N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 25250653) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID25250653
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCC/C(C)=N/NC(=O)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-3-15(2)21-22-19(23)18-14-20(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3,(H,22,23)/b21-15+
InChIKeyKJVUUKRIXROCOT-RCCKNPSSSA-N
XLogP3.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 25250653) is N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is CC/C(C)=N/NC(=O)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is KJVUUKRIXROCOT-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-15(2)21-22-19(23)18-14-20(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3,(H,22,23)/b21-15+.
What are the key properties of N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 25250653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).