N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide

C24H26N2O2 — CID 4937912

IUPACN-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)c2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C24H26N2O2/c1-17(2)20-14-13-18(3)22(15-20)25-26-24(27)21-11-7-8-12-23(21)28-16-19-9-5-4-6-10-19/h4-13,20H,1,14-16H2,2-3H3,(H,26,27)
InChIKeyNZPKOFPQVHHFFN-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.28
Rot. Bonds6

About N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide

N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide (PubChem CID 4937912) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide
PubChem CID4937912
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)c2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C24H26N2O2/c1-17(2)20-14-13-18(3)22(15-20)25-26-24(27)21-11-7-8-12-23(21)28-16-19-9-5-4-6-10-19/h4-13,20H,1,14-16H2,2-3H3,(H,26,27)
InChIKeyNZPKOFPQVHHFFN-UHFFFAOYSA-N
XLogP5.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.28
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)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6141737
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide
CID 8714658
3-chloro-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-1-benzothiophene-2-carboxamide
CID 1011643
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54785183
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-[(E)-heptan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54784658
1-(1-cyclopropylethenyl)-2-phenylmethoxybenzene
CID 175668306
N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5237889
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide (CID 4937912) is N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide is C=C(C)C1CC=C(C)C(=NNC(=O)c2ccccc2OCc2ccccc2)C1.
What is the InChIKey of N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide?
The InChIKey is NZPKOFPQVHHFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17(2)20-14-13-18(3)22(15-20)25-26-24(27)21-11-7-8-12-23(21)28-16-19-9-5-4-6-10-19/h4-13,20H,1,14-16H2,2-3H3,(H,26,27).
What are the key properties of N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide?
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide has a molecular weight of 374.48 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 4937912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).