N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide

C21H22N2O2 — CID 8518160

IUPACN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide
SMILESO=C(N/N=C\[C@H]1CC=CCC1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H22N2O2/c24-21(23-22-15-17-7-3-1-4-8-17)19-13-11-18(12-14-19)16-25-20-9-5-2-6-10-20/h1-3,5-6,9-15,17H,4,7-8,16H2,(H,23,24)/b22-15-/t17-/m0/s1
InChIKeyUOEFGYBFDDNYQE-WPGBELRESA-N
MW334.42 g/mol
LogP4.34
Rot. Bonds6

About N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide (PubChem CID 8518160) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide
PubChem CID8518160
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide
SMILESO=C(N/N=C\[C@H]1CC=CCC1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H22N2O2/c24-21(23-22-15-17-7-3-1-4-8-17)19-13-11-18(12-14-19)16-25-20-9-5-2-6-10-20/h1-3,5-6,9-15,17H,4,7-8,16H2,(H,23,24)/b22-15-/t17-/m0/s1
InChIKeyUOEFGYBFDDNYQE-WPGBELRESA-N
XLogP4.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide
CID 3942761
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
CID 8518251
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8518215
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-(6-bicyclo[3.2.0]hept-3-enylideneamino)-4-(phenoxymethyl)benzamide
CID 3321972
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-4-(phenoxymethyl)benzamide
CID 7435049

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide (CID 8518160) is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide is O=C(N/N=C\[C@H]1CC=CCC1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The InChIKey is UOEFGYBFDDNYQE-WPGBELRESA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(23-22-15-17-7-3-1-4-8-17)19-13-11-18(12-14-19)16-25-20-9-5-2-6-10-20/h1-3,5-6,9-15,17H,4,7-8,16H2,(H,23,24)/b22-15-/t17-/m0/s1.
What are the key properties of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 8518160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).