2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide

C21H25N3O2 — CID 11935372

IUPAC2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C1/CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-26-20-14-8-7-13-19(20)22-15-21(25)24-23-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-4,7-10,13-14,17,22H,5-6,11-12,15H2,1H3,(H,24,25)/b23-18-/t17-/m1/s1
InChIKeyONQLQGHCPCUOFS-USMQXWLVSA-N
MW351.45 g/mol
LogP3.94
Rot. Bonds6

About 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide

2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide (PubChem CID 11935372) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide
PubChem CID11935372
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C1/CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-26-20-14-8-7-13-19(20)22-15-21(25)24-23-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-4,7-10,13-14,17,22H,5-6,11-12,15H2,1H3,(H,24,25)/b23-18-/t17-/m1/s1
InChIKeyONQLQGHCPCUOFS-USMQXWLVSA-N
XLogP3.94
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyanilino)acetamide
CID 968177
3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
CID 8974483
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 6071350
2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7393779
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 9030369
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[[(2S)-2-phenylcyclohexylidene]amino]acetamide
CID 8982304
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
CID 4541197
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 5404259
2-(4-fluoroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5332996

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide (CID 11935372) is 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide is COc1ccccc1NCC(=O)N/N=C1/CCCC[C@@H]1c1ccccc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide?
The InChIKey is ONQLQGHCPCUOFS-USMQXWLVSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-20-14-8-7-13-19(20)22-15-21(25)24-23-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-4,7-10,13-14,17,22H,5-6,11-12,15H2,1H3,(H,24,25)/b23-18-/t17-/m1/s1.
What are the key properties of 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide?
2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 11935372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).