2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

C21H26ClNO3 — CID 46599023

IUPAC2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCc1ccccc1COC(C)C
InChIInChI=1S/C21H26ClNO3/c1-14(2)25-13-18-8-6-5-7-17(18)12-23-21(24)16(4)26-20-10-9-19(22)11-15(20)3/h5-11,14,16H,12-13H2,1-4H3,(H,23,24)
InChIKeyFSDKIYHAMHAYTF-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.66
Rot. Bonds8

About 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide (PubChem CID 46599023) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
PubChem CID46599023
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCc1ccccc1COC(C)C
InChIInChI=1S/C21H26ClNO3/c1-14(2)25-13-18-8-6-5-7-17(18)12-23-21(24)16(4)26-20-10-9-19(22)11-15(20)3/h5-11,14,16H,12-13H2,1-4H3,(H,23,24)
InChIKeyFSDKIYHAMHAYTF-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 46585246
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55584253
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide (CID 46599023) is 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCc1ccccc1COC(C)C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The InChIKey is FSDKIYHAMHAYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-14(2)25-13-18-8-6-5-7-17(18)12-23-21(24)16(4)26-20-10-9-19(22)11-15(20)3/h5-11,14,16H,12-13H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide has a molecular weight of 375.90 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46599023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).