(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide

C26H26N2O — CID 7452244

IUPAC(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide
SMILESCCC/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c1-2-12-24(20-13-6-3-7-14-20)27-28-25(29)23-19-26(23,21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23H,2,12,19H2,1H3,(H,28,29)/b27-24-/t23-/m0/s1
InChIKeyXGDWSQZCAAWFLF-NMEKLRCKSA-N
MW382.51 g/mol
LogP5.31
Rot. Bonds7

About (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide

(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide (PubChem CID 7452244) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide
PubChem CID7452244
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide
SMILESCCC/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c1-2-12-24(20-13-6-3-7-14-20)27-28-25(29)23-19-26(23,21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23H,2,12,19H2,1H3,(H,28,29)/b27-24-/t23-/m0/s1
InChIKeyXGDWSQZCAAWFLF-NMEKLRCKSA-N
XLogP5.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.31
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

(1R)-N-[1-(4-methylphenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129438757
(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide
CID 7285249
N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 56692976
N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 4530150
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 25250653
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
N-(1-phenylbutylideneamino)adamantane-1-carboxamide
CID 4275129
trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
CID 7224859
(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7452248
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636
(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1378728
(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide
CID 129440125

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide (CID 7452244) is (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide is CCC/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide?
The InChIKey is XGDWSQZCAAWFLF-NMEKLRCKSA-N. The full InChI is InChI=1S/C26H26N2O/c1-2-12-24(20-13-6-3-7-14-20)27-28-25(29)23-19-26(23,21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23H,2,12,19H2,1H3,(H,28,29)/b27-24-/t23-/m0/s1.
What are the key properties of (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide?
(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 7452244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).