N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide

C15H21Cl2N3O2 — CID 47023383

IUPACN-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
SMILESCC(=O)NCCNC(=O)CN(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c1-10(13-5-4-12(16)8-14(13)17)20(3)9-15(22)19-7-6-18-11(2)21/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyKIMMDNKZZIAENW-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.24
Rot. Bonds7

About N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide

N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide (PubChem CID 47023383) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
PubChem CID47023383
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC NameN-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
SMILESCC(=O)NCCNC(=O)CN(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c1-10(13-5-4-12(16)8-14(13)17)20(3)9-15(22)19-7-6-18-11(2)21/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyKIMMDNKZZIAENW-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.24
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

2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 55569034
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51934800
N-tert-butyl-2-[[2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55568921
N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
CID 46573614
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107721043

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide (CID 47023383) is N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide is CC(=O)NCCNC(=O)CN(C)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide?
The InChIKey is KIMMDNKZZIAENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-10(13-5-4-12(16)8-14(13)17)20(3)9-15(22)19-7-6-18-11(2)21/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide?
N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide has a molecular weight of 346.26 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 47023383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).