N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide

C19H23ClN2O — CID 109005062

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
SMILESCc1cc(C)c(NC(=O)CNCCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14-11-15(2)19(17(20)12-14)22-18(23)13-21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,21H,6,9-10,13H2,1-2H3,(H,22,23)
InChIKeyUGOMDLPAPQBFBA-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.12
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide (PubChem CID 109005062) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
PubChem CID109005062
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
SMILESCc1cc(C)c(NC(=O)CNCCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14-11-15(2)19(17(20)12-14)22-18(23)13-21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,21H,6,9-10,13H2,1-2H3,(H,22,23)
InChIKeyUGOMDLPAPQBFBA-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466438
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002577
N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005057
N-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]-3-phenylpropanamide
CID 19187897
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]-N-(3-phenylpropyl)acetamide
CID 11902798

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide (CID 109005062) is N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide is Cc1cc(C)c(NC(=O)CNCCCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide?
The InChIKey is UGOMDLPAPQBFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14-11-15(2)19(17(20)12-14)22-18(23)13-21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,21H,6,9-10,13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide has a molecular weight of 330.86 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide is sourced from PubChem (CID 109005062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).