(1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide

C26H30N2O — CID 98789597

IUPAC(1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide
SMILESCC1(C)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)[C@]2(C)CC[C@@H]1C2
InChIInChI=1S/C26H30N2O/c1-24(2)20-14-15-25(3,16-20)23(24)28-27-22(29)21-17-26(21,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,27,29)/b28-23-/t20-,21-,25-/m1/s1
InChIKeyOSRULRYXFGZPJZ-GLPLEDTMSA-N
MW386.54 g/mol
LogP5.31
Rot. Bonds4

About (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide

(1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide (PubChem CID 98789597) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide
PubChem CID98789597
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide
SMILESCC1(C)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)[C@]2(C)CC[C@@H]1C2
InChIInChI=1S/C26H30N2O/c1-24(2)20-14-15-25(3,16-20)23(24)28-27-22(29)21-17-26(21,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,27,29)/b28-23-/t20-,21-,25-/m1/s1
InChIKeyOSRULRYXFGZPJZ-GLPLEDTMSA-N
XLogP5.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
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'}

Analyze (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide with MolForge

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Related Compounds

methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate
CID 10638864
[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 3883785
[(E)-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] benzoate
CID 6339508
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
(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide
CID 7452244
(1R)-N-benzyl-2,2-diphenylcyclopropane-1-carboxamide
CID 1247410
(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide
CID 129440125
N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 4530150
(1S)-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7428888
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide (CID 98789597) is (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide is CC1(C)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)[C@]2(C)CC[C@@H]1C2.
What is the InChIKey of (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide?
The InChIKey is OSRULRYXFGZPJZ-GLPLEDTMSA-N. The full InChI is InChI=1S/C26H30N2O/c1-24(2)20-14-15-25(3,16-20)23(24)28-27-22(29)21-17-26(21,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,27,29)/b28-23-/t20-,21-,25-/m1/s1.
What are the key properties of (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide?
(1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 98789597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).