N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide

C13H19ClN2O2 — CID 78908421

IUPACN-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKeyGDSYMVOPHSQLHM-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.53
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide

N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide (PubChem CID 78908421) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
PubChem CID78908421
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKeyGDSYMVOPHSQLHM-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 60939022
1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 111294068
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107
N-(4-ethylphenyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79281989

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide (CID 78908421) is N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide is COCCNCC(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The InChIKey is GDSYMVOPHSQLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide is sourced from PubChem (CID 78908421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).