N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide

C21H26N2O3 — CID 51991134

IUPACN-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNC[C@@H]3CCCO3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-4-8-18(9-5-16)23-21(24)15-26-19-10-6-17(7-11-19)13-22-14-20-3-2-12-25-20/h4-11,20,22H,2-3,12-15H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyMMKFSVKWSBTRPZ-FQEVSTJZSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds8

About N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide

N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide (PubChem CID 51991134) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide
PubChem CID51991134
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNC[C@@H]3CCCO3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-4-8-18(9-5-16)23-21(24)15-26-19-10-6-17(7-11-19)13-22-14-20-3-2-12-25-20/h4-11,20,22H,2-3,12-15H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyMMKFSVKWSBTRPZ-FQEVSTJZSA-N
XLogP3.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105820
2-(4-methylphenoxy)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025408
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
(E)-2-cyano-3-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 6277803
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide (CID 51991134) is N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(CNC[C@@H]3CCCO3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide?
The InChIKey is MMKFSVKWSBTRPZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-4-8-18(9-5-16)23-21(24)15-26-19-10-6-17(7-11-19)13-22-14-20-3-2-12-25-20/h4-11,20,22H,2-3,12-15H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide?
N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 51991134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).