2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide

C21H24N2O2 — CID 4075219

IUPAC2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide
SMILESCOc1ccc(CC(=O)NN=C2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-20-13-7-16(8-14-20)15-21(24)23-22-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-8,13-14,18H,9-12,15H2,1H3,(H,23,24)/b22-19-
InChIKeyYLUAZGVPONYCHD-QOCHGBHMSA-N
MW336.44 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide

2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide (PubChem CID 4075219) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide
PubChem CID4075219
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide
SMILESCOc1ccc(CC(=O)NN=C2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-20-13-7-16(8-14-20)15-21(24)23-22-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-8,13-14,18H,9-12,15H2,1H3,(H,23,24)/b22-19-
InChIKeyYLUAZGVPONYCHD-QOCHGBHMSA-N
XLogP4.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.07
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-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3652246
3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9461102
N-[(2-ethylcyclopentylidene)amino]-2-(4-methoxyphenyl)acetamide
CID 4506010
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide
CID 4149734
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-2-[(4-phenylcyclohexyl)carbamoylamino]acetamide
CID 48515720
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
2-(4-methoxyphenyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 23327872
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-(cyclopentylideneamino)-2-naphthalen-1-ylacetamide
CID 905432

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide (CID 4075219) is 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide is COc1ccc(CC(=O)NN=C2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide?
The InChIKey is YLUAZGVPONYCHD-QOCHGBHMSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-20-13-7-16(8-14-20)15-21(24)23-22-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-8,13-14,18H,9-12,15H2,1H3,(H,23,24)/b22-19-.
What are the key properties of 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide?
2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide has a molecular weight of 336.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 4075219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).