N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide

C22H26N2O3 — CID 7435064

IUPACN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
SMILESC[C@H]1CCC/C(=N/NC(=O)c2ccccc2OCCOc2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-17-8-7-9-18(16-17)23-24-22(25)20-12-5-6-13-21(20)27-15-14-26-19-10-3-2-4-11-19/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,24,25)/b23-18-/t17-/m0/s1
InChIKeyOEBLWDJULDABSM-XBYUIDQRSA-N
MW366.46 g/mol
LogP4.44
Rot. Bonds7

About N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide

N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide (PubChem CID 7435064) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
PubChem CID7435064
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
SMILESC[C@H]1CCC/C(=N/NC(=O)c2ccccc2OCCOc2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-17-8-7-9-18(16-17)23-24-22(25)20-12-5-6-13-21(20)27-15-14-26-19-10-3-2-4-11-19/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,24,25)/b23-18-/t17-/m0/s1
InChIKeyOEBLWDJULDABSM-XBYUIDQRSA-N
XLogP4.44
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
CID 4925778
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
2-N,5-N-bis[(E)-(3-methylcyclohexylidene)amino]furan-2,5-dicarboxamide
CID 19579653
3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 7858460
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 27485279
2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27459585
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 5428311
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide (CID 7435064) is N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide is C[C@H]1CCC/C(=N/NC(=O)c2ccccc2OCCOc2ccccc2)C1.
What is the InChIKey of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is OEBLWDJULDABSM-XBYUIDQRSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-8-7-9-18(16-17)23-24-22(25)20-12-5-6-13-21(20)27-15-14-26-19-10-3-2-4-11-19/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,24,25)/b23-18-/t17-/m0/s1.
What are the key properties of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide?
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 7435064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).