2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide

C14H22ClN3O — CID 108995200

IUPAC2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNCc1ccccc1Cl
InChIInChI=1S/C14H22ClN3O/c1-18(2)9-5-8-17-14(19)11-16-10-12-6-3-4-7-13(12)15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,19)
InChIKeyCGTIKTRVLPBTKP-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.50
Rot. Bonds8

About 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide

2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 108995200) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID108995200
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNCc1ccccc1Cl
InChIInChI=1S/C14H22ClN3O/c1-18(2)9-5-8-17-14(19)11-16-10-12-6-3-4-7-13(12)15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,19)
InChIKeyCGTIKTRVLPBTKP-UHFFFAOYSA-N
XLogP1.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995281
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248
2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995350
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 108997925
2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108995055
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide (CID 108995200) is 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)CNCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is CGTIKTRVLPBTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-18(2)9-5-8-17-14(19)11-16-10-12-6-3-4-7-13(12)15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide?
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 283.80 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 108995200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).