2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide

C19H27ClN2O2 — CID 3437597

IUPAC2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O2/c1-4-19(2,3)14-5-9-16(10-6-14)21-22-18(23)13-24-17-11-7-15(20)8-12-17/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,22,23)/b21-16-
InChIKeyDVOAUAMMVBLACS-PGMHBOJBSA-N
MW350.89 g/mol
LogP4.82
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide

2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide (PubChem CID 3437597) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
PubChem CID3437597
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O2/c1-4-19(2,3)14-5-9-16(10-6-14)21-22-18(23)13-24-17-11-7-15(20)8-12-17/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,22,23)/b21-16-
InChIKeyDVOAUAMMVBLACS-PGMHBOJBSA-N
XLogP4.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.82
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'}

Analyze 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide
CID 51061350
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-phenylacetamide
CID 4149734
2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 4196468
methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
CID 4650730
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4620122
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide
CID 4547422
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4070335
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 3467390
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide (CID 3437597) is 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide is CCC(C)(C)C1CCC(=NNC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide?
The InChIKey is DVOAUAMMVBLACS-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-4-19(2,3)14-5-9-16(10-6-14)21-22-18(23)13-24-17-11-7-15(20)8-12-17/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,22,23)/b21-16-.
What are the key properties of 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide?
2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide has a molecular weight of 350.89 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide is sourced from PubChem (CID 3437597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).