3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide

C14H21ClN2O2 — CID 81488980

IUPAC3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
SMILESCN(CCOc1ccccc1Cl)C(=O)C(C)(C)CN
InChIInChI=1S/C14H21ClN2O2/c1-14(2,10-16)13(18)17(3)8-9-19-12-7-5-4-6-11(12)15/h4-7H,8-10,16H2,1-3H3
InChIKeyNLWFXRINDAWQNJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.16
Rot. Bonds6

About 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide

3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide (PubChem CID 81488980) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
PubChem CID81488980
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
SMILESCN(CCOc1ccccc1Cl)C(=O)C(C)(C)CN
InChIInChI=1S/C14H21ClN2O2/c1-14(2,10-16)13(18)17(3)8-9-19-12-7-5-4-6-11(12)15/h4-7H,8-10,16H2,1-3H3
InChIKeyNLWFXRINDAWQNJ-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
N-(3-amino-2,2-dimethylpropyl)-4-(2-chlorophenoxy)-N-methylbutanamide
CID 119657041
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62688700

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide (CID 81488980) is 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide is CN(CCOc1ccccc1Cl)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide?
The InChIKey is NLWFXRINDAWQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,10-16)13(18)17(3)8-9-19-12-7-5-4-6-11(12)15/h4-7H,8-10,16H2,1-3H3.
What are the key properties of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide?
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 81488980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).