(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C26H24N2O3 — CID 7241725

IUPAC(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H24N2O3/c1-18(19-12-13-23-24(16-19)31-15-14-30-23)27-28-25(29)22-17-26(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,22H,14-15,17H2,1H3,(H,28,29)/b27-18-/t22-/m0/s1
InChIKeyAKRVJRLNQBEVDY-IVKFTBJLSA-N
MW412.49 g/mol
LogP4.30
Rot. Bonds5

About (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 7241725) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID7241725
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H24N2O3/c1-18(19-12-13-23-24(16-19)31-15-14-30-23)27-28-25(29)22-17-26(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,22H,14-15,17H2,1H3,(H,28,29)/b27-18-/t22-/m0/s1
InChIKeyAKRVJRLNQBEVDY-IVKFTBJLSA-N
XLogP4.30
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7452248
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1378728
N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5419353
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 25250653
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358
(1S)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 6894206
(2R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-phenylsulfanylpropanamide
CID 6967321
N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 4530150
(1R)-N-[1-(4-methylphenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129438757
N'-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]oxamide
CID 9120866

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 7241725) is (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is C/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is AKRVJRLNQBEVDY-IVKFTBJLSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18(19-12-13-23-24(16-19)31-15-14-30-23)27-28-25(29)22-17-26(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,22H,14-15,17H2,1H3,(H,28,29)/b27-18-/t22-/m0/s1.
What are the key properties of (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7241725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).