2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide

C13H19ClN2O2 — CID 96679162

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
SMILESCOc1cc(C)c(Cl)c(C)c1NCC(=O)N(C)C
InChIInChI=1S/C13H19ClN2O2/c1-8-6-10(18-5)13(9(2)12(8)14)15-7-11(17)16(3)4/h6,15H,7H2,1-5H3
InChIKeyGJKJUNVALDYDTI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.47
Rot. Bonds4

About 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide

2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide (PubChem CID 96679162) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
PubChem CID96679162
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
SMILESCOc1cc(C)c(Cl)c(C)c1NCC(=O)N(C)C
InChIInChI=1S/C13H19ClN2O2/c1-8-6-10(18-5)13(9(2)12(8)14)15-7-11(17)16(3)4/h6,15H,7H2,1-5H3
InChIKeyGJKJUNVALDYDTI-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)butane-1,4-diamine
CID 115201004
1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one
CID 115234582
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223
N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
CID 115175491
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
CID 110782966
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 110769484
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide (CID 96679162) is 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide is COc1cc(C)c(Cl)c(C)c1NCC(=O)N(C)C.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide?
The InChIKey is GJKJUNVALDYDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8-6-10(18-5)13(9(2)12(8)14)15-7-11(17)16(3)4/h6,15H,7H2,1-5H3.
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide?
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide has a molecular weight of 270.76 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 96679162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).