4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide

C14H18Cl2N2O2 — CID 66239454

IUPAC4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)C1COCC1N
InChIInChI=1S/C14H18Cl2N2O2/c1-8(10-4-3-9(15)5-12(10)16)18(2)14(19)11-6-20-7-13(11)17/h3-5,8,11,13H,6-7,17H2,1-2H3
InChIKeyHLROCZJSWHXLJB-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.49
Rot. Bonds3

About 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide (PubChem CID 66239454) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide
PubChem CID66239454
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)C1COCC1N
InChIInChI=1S/C14H18Cl2N2O2/c1-8(10-4-3-9(15)5-12(10)16)18(2)14(19)11-6-20-7-13(11)17/h3-5,8,11,13H,6-7,17H2,1-2H3
InChIKeyHLROCZJSWHXLJB-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60953769
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide
CID 66240658
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37494142
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
4-[1-(2,4-dichlorophenyl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66247505
(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120621643
4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 66237454
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 37493820

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide (CID 66239454) is 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide?
The InChIKey is HLROCZJSWHXLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-8(10-4-3-9(15)5-12(10)16)18(2)14(19)11-6-20-7-13(11)17/h3-5,8,11,13H,6-7,17H2,1-2H3.
What are the key properties of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide?
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66239454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).