N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide

C15H24ClN3O — CID 108995128

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCc1cc(C)c(NC(=O)CNCCCN(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-11-8-12(2)15(13(16)9-11)18-14(20)10-17-6-5-7-19(3)4/h8-9,17H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyVKUMIEWCDMLHQE-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.44
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide (PubChem CID 108995128) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
PubChem CID108995128
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCc1cc(C)c(NC(=O)CNCCCN(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-11-8-12(2)15(13(16)9-11)18-14(20)10-17-6-5-7-19(3)4/h8-9,17H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyVKUMIEWCDMLHQE-UHFFFAOYSA-N
XLogP2.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.44
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

3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466438
N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005062
N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108944231
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995126
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053445
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylpyrimidine-4-carboxamide
CID 109366648
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325499
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide (CID 108995128) is N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide is Cc1cc(C)c(NC(=O)CNCCCN(C)C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The InChIKey is VKUMIEWCDMLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11-8-12(2)15(13(16)9-11)18-14(20)10-17-6-5-7-19(3)4/h8-9,17H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide has a molecular weight of 297.83 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide is sourced from PubChem (CID 108995128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).