N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide

C17H22N2O2 — CID 9215546

IUPACN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\[C@@H]2CC=CCC2)cc1
InChIInChI=1S/C17H22N2O2/c1-13(2)21-16-10-8-15(9-11-16)17(20)19-18-12-14-6-4-3-5-7-14/h3-4,8-14H,5-7H2,1-2H3,(H,19,20)/b18-12-/t14-/m1/s1
InChIKeyCJFYFFQJXZKUOL-IIMQCXAKSA-N
MW286.38 g/mol
LogP3.55
Rot. Bonds5

About N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215546) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215546
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\[C@@H]2CC=CCC2)cc1
InChIInChI=1S/C17H22N2O2/c1-13(2)21-16-10-8-15(9-11-16)17(20)19-18-12-14-6-4-3-5-7-14/h3-4,8-14H,5-7H2,1-2H3,(H,19,20)/b18-12-/t14-/m1/s1
InChIKeyCJFYFFQJXZKUOL-IIMQCXAKSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.55
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-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide
CID 3942761
N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351479
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 7392718
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
1-(cyclohex-3-en-1-ylmethylideneamino)-3-propan-2-ylthiourea
CID 3609168
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide
CID 9215551
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215678
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide (CID 9215546) is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N/N=C\[C@@H]2CC=CCC2)cc1.
What is the InChIKey of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is CJFYFFQJXZKUOL-IIMQCXAKSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)21-16-10-8-15(9-11-16)17(20)19-18-12-14-6-4-3-5-7-14/h3-4,8-14H,5-7H2,1-2H3,(H,19,20)/b18-12-/t14-/m1/s1.
What are the key properties of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 286.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).