3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide

C14H20Cl2N2O — CID 103822854

IUPAC3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-9(10-5-6-11(15)12(16)7-10)18-8-14(2,3)13(19)17-4/h5-7,9,18H,8H2,1-4H3,(H,17,19)
InChIKeyZRGVMGSXDFTSCE-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.42
Rot. Bonds5

About 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide

3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide (PubChem CID 103822854) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide
PubChem CID103822854
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-9(10-5-6-11(15)12(16)7-10)18-8-14(2,3)13(19)17-4/h5-7,9,18H,8H2,1-4H3,(H,17,19)
InChIKeyZRGVMGSXDFTSCE-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917282
3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917273
2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214674
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103822837
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 104536070
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide (CID 103822854) is 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide?
The InChIKey is ZRGVMGSXDFTSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9(10-5-6-11(15)12(16)7-10)18-8-14(2,3)13(19)17-4/h5-7,9,18H,8H2,1-4H3,(H,17,19).
What are the key properties of 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide?
3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103822854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).