N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide

C19H22N2O2 — CID 5428311

IUPACN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide
SMILESC[C@H]1CCC/C(=N/NC(=O)COc2ccc3ccccc3c2)C1
InChIInChI=1S/C19H22N2O2/c1-14-5-4-8-17(11-14)20-21-19(22)13-23-18-10-9-15-6-2-3-7-16(15)12-18/h2-3,6-7,9-10,12,14H,4-5,8,11,13H2,1H3,(H,21,22)/b20-17-/t14-/m0/s1
InChIKeyVSGAHMGXEMOOKM-UXPDKRSESA-N
MW310.40 g/mol
LogP3.90
Rot. Bonds4

About N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide

N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide (PubChem CID 5428311) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide
PubChem CID5428311
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide
SMILESC[C@H]1CCC/C(=N/NC(=O)COc2ccc3ccccc3c2)C1
InChIInChI=1S/C19H22N2O2/c1-14-5-4-8-17(11-14)20-21-19(22)13-23-18-10-9-15-6-2-3-7-16(15)12-18/h2-3,6-7,9-10,12,14H,4-5,8,11,13H2,1H3,(H,21,22)/b20-17-/t14-/m0/s1
InChIKeyVSGAHMGXEMOOKM-UXPDKRSESA-N
XLogP3.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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]-2-(4-phenylphenoxy)acetamide
CID 3270935
N-(cyclooctylideneamino)-2-naphthalen-2-yloxyacetamide
CID 4674505
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 5419189
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6916225
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
CID 7530082
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6013484
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662511
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide (CID 5428311) is N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide is C[C@H]1CCC/C(=N/NC(=O)COc2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is VSGAHMGXEMOOKM-UXPDKRSESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-5-4-8-17(11-14)20-21-19(22)13-23-18-10-9-15-6-2-3-7-16(15)12-18/h2-3,6-7,9-10,12,14H,4-5,8,11,13H2,1H3,(H,21,22)/b20-17-/t14-/m0/s1.
What are the key properties of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide?
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 310.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 5428311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).