N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide

C17H25ClN2O — CID 62406464

IUPACN-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC(C)C1CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-12-8-9-15(18)10-16(12)20-17(21)11-19-13(2)14-6-4-3-5-7-14/h8-10,13-14,19H,3-7,11H2,1-2H3,(H,20,21)
InChIKeyZYMCLSPXXXEAHX-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.15
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide

N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide (PubChem CID 62406464) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
PubChem CID62406464
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC(C)C1CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-12-8-9-15(18)10-16(12)20-17(21)11-19-13(2)14-6-4-3-5-7-14/h8-10,13-14,19H,3-7,11H2,1-2H3,(H,20,21)
InChIKeyZYMCLSPXXXEAHX-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696419
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
2-acetamido-N-(5-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272260
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide (CID 62406464) is N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide is Cc1ccc(Cl)cc1NC(=O)CNC(C)C1CCCCC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide?
The InChIKey is ZYMCLSPXXXEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12-8-9-15(18)10-16(12)20-17(21)11-19-13(2)14-6-4-3-5-7-14/h8-10,13-14,19H,3-7,11H2,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide has a molecular weight of 308.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide is sourced from PubChem (CID 62406464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).