(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C28H24N2O — CID 7452248

IUPAC(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C28H24N2O/c1-20(22-17-16-21-10-8-9-11-23(21)18-22)29-30-27(31)26-19-28(26,24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-18,26H,19H2,1H3,(H,30,31)/b29-20-/t26-/m0/s1
InChIKeyWTWUTNTZPQGTDH-CTTMAIQESA-N
MW404.51 g/mol
LogP5.69
Rot. Bonds5

About (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 7452248) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID7452248
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C28H24N2O/c1-20(22-17-16-21-10-8-9-11-23(21)18-22)29-30-27(31)26-19-28(26,24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-18,26H,19H2,1H3,(H,30,31)/b29-20-/t26-/m0/s1
InChIKeyWTWUTNTZPQGTDH-CTTMAIQESA-N
XLogP5.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.69
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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Related Compounds

(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1378728
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7241725
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 25250653
(1R)-N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 7039734
N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 3098363
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
trans-(1S,2S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7296073
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5409657
(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide
CID 7452244
N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 4530150

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 7452248) is (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is C/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is WTWUTNTZPQGTDH-CTTMAIQESA-N. The full InChI is InChI=1S/C28H24N2O/c1-20(22-17-16-21-10-8-9-11-23(21)18-22)29-30-27(31)26-19-28(26,24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-18,26H,19H2,1H3,(H,30,31)/b29-20-/t26-/m0/s1.
What are the key properties of (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7452248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).