N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide

C20H26N2O2 — CID 29226307

IUPACN-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C\C2=CC[C@H]3C[C@@H]2C3(C)C)c1
InChIInChI=1S/C20H26N2O2/c1-13-5-6-14(2)18(9-13)24-12-19(23)22-21-11-15-7-8-16-10-17(15)20(16,3)4/h5-7,9,11,16-17H,8,10,12H2,1-4H3,(H,22,23)/b21-11-/t16-,17-/m0/s1
InChIKeyJRHHNXRSYVBZFO-FPHNSIFGSA-N
MW326.44 g/mol
LogP3.78
Rot. Bonds5

About N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide

N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 29226307) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID29226307
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C\C2=CC[C@H]3C[C@@H]2C3(C)C)c1
InChIInChI=1S/C20H26N2O2/c1-13-5-6-14(2)18(9-13)24-12-19(23)22-21-11-15-7-8-16-10-17(15)20(16,3)4/h5-7,9,11,16-17H,8,10,12H2,1-4H3,(H,22,23)/b21-11-/t16-,17-/m0/s1
InChIKeyJRHHNXRSYVBZFO-FPHNSIFGSA-N
XLogP3.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 166435198
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 71900864
ethyl N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]carbamate
CID 4671305
2-(2,5-dimethylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560510
2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6911005
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 5426420
2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 7801606
2-(2,5-dimethylphenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5412056
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 6898858
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 135645121
2-(2,5-dimethylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6898857
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide (CID 29226307) is N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)N/N=C\C2=CC[C@H]3C[C@@H]2C3(C)C)c1.
What is the InChIKey of N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is JRHHNXRSYVBZFO-FPHNSIFGSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-5-6-14(2)18(9-13)24-12-19(23)22-21-11-15-7-8-16-10-17(15)20(16,3)4/h5-7,9,11,16-17H,8,10,12H2,1-4H3,(H,22,23)/b21-11-/t16-,17-/m0/s1.
What are the key properties of N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide?
N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 29226307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).