N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H22ClNO3 — CID 115949715

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(CCOc1ccccc1Cl)C(=O)COC(C)(C)C
InChIInChI=1S/C15H22ClNO3/c1-15(2,3)20-11-14(18)17(4)9-10-19-13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3
InChIKeyDEBQUBAPBOENDQ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949715) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949715
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(CCOc1ccccc1Cl)C(=O)COC(C)(C)C
InChIInChI=1S/C15H22ClNO3/c1-15(2,3)20-11-14(18)17(4)9-10-19-13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3
InChIKeyDEBQUBAPBOENDQ-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81488980
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
5-[2-(2-chlorophenoxy)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964900
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949715) is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CN(CCOc1ccccc1Cl)C(=O)COC(C)(C)C.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is DEBQUBAPBOENDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-15(2,3)20-11-14(18)17(4)9-10-19-13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 299.80 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).