N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide

C14H20ClNO3 — CID 79200106

IUPACN-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-11(17)7-8-14(18)16(2)9-10-19-13-6-4-3-5-12(13)15/h3-6,11,17H,7-10H2,1-2H3
InChIKeyPNLQMOHNUYSMQA-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.34
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide

N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide (PubChem CID 79200106) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
PubChem CID79200106
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-11(17)7-8-14(18)16(2)9-10-19-13-6-4-3-5-12(13)15/h3-6,11,17H,7-10H2,1-2H3
InChIKeyPNLQMOHNUYSMQA-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
5-[2-(2-chlorophenoxy)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964900
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81488980
N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 94463249
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18119353

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide (CID 79200106) is N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide is CC(O)CCC(=O)N(C)CCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide?
The InChIKey is PNLQMOHNUYSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-11(17)7-8-14(18)16(2)9-10-19-13-6-4-3-5-12(13)15/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide?
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide has a molecular weight of 285.77 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide is sourced from PubChem (CID 79200106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).