N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide

C15H18N2O3 — CID 2847710

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=CC2CC=CCC2)ccc1O
InChIInChI=1S/C15H18N2O3/c1-20-14-9-12(7-8-13(14)18)15(19)17-16-10-11-5-3-2-4-6-11/h2-3,7-11,18H,4-6H2,1H3,(H,17,19)
InChIKeyOBIPQSBRWXYPFA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.47
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide

N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide (PubChem CID 2847710) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide
PubChem CID2847710
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=CC2CC=CCC2)ccc1O
InChIInChI=1S/C15H18N2O3/c1-20-14-9-12(7-8-13(14)18)15(19)17-16-10-11-5-3-2-4-6-11/h2-3,7-11,18H,4-6H2,1H3,(H,17,19)
InChIKeyOBIPQSBRWXYPFA-UHFFFAOYSA-N
XLogP2.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 7392718
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 9069645
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 71537756
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dimethoxybenzamide
CID 7449031
N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide
CID 19034298
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide (CID 2847710) is N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)NN=CC2CC=CCC2)ccc1O.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide?
The InChIKey is OBIPQSBRWXYPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-14-9-12(7-8-13(14)18)15(19)17-16-10-11-5-3-2-4-6-11/h2-3,7-11,18H,4-6H2,1H3,(H,17,19).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide?
N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 2847710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).