N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide

C19H22N2O — CID 4694796

IUPACN-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
SMILESCC1CCCCC1=NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H22N2O/c1-14-7-2-5-12-18(14)20-21-19(22)13-16-10-6-9-15-8-3-4-11-17(15)16/h3-4,6,8-11,14H,2,5,7,12-13H2,1H3,(H,21,22)
InChIKeyNJMMWWLLOUKLIW-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.06
Rot. Bonds3

About N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide

N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide (PubChem CID 4694796) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
PubChem CID4694796
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
SMILESCC1CCCCC1=NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H22N2O/c1-14-7-2-5-12-18(14)20-21-19(22)13-16-10-6-9-15-8-3-4-11-17(15)16/h3-4,6,8-11,14H,2,5,7,12-13H2,1H3,(H,21,22)
InChIKeyNJMMWWLLOUKLIW-UHFFFAOYSA-N
XLogP4.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclopentylideneamino)-2-naphthalen-1-ylacetamide
CID 905432
2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 5404259
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-(3-methylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 114549688
N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
CID 93452521
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053
(2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
CID 51552369
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 9030369
N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
CID 9351584

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide (CID 4694796) is N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide is CC1CCCCC1=NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide?
The InChIKey is NJMMWWLLOUKLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-7-2-5-12-18(14)20-21-19(22)13-16-10-6-9-15-8-3-4-11-17(15)16/h3-4,6,8-11,14H,2,5,7,12-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide?
N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide has a molecular weight of 294.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 4694796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).