2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

C22H30N2O2 — CID 19615651

IUPAC2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2CNC(C)C(C)(C)C)c1
InChIInChI=1S/C22H30N2O2/c1-16-9-8-11-19(13-16)24-21(25)15-26-20-12-7-6-10-18(20)14-23-17(2)22(3,4)5/h6-13,17,23H,14-15H2,1-5H3,(H,24,25)
InChIKeyWVSIFPKGRADMDO-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.54
Rot. Bonds7

About 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 19615651) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID19615651
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2CNC(C)C(C)(C)C)c1
InChIInChI=1S/C22H30N2O2/c1-16-9-8-11-19(13-16)24-21(25)15-26-20-12-7-6-10-18(20)14-23-17(2)22(3,4)5/h6-13,17,23H,14-15H2,1-5H3,(H,24,25)
InChIKeyWVSIFPKGRADMDO-UHFFFAOYSA-N
XLogP4.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7387007
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126212904
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7386993
2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(3-methylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 24693195
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
3-bromo-4-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707266
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide
CID 115956208

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 19615651) is 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccccc2CNC(C)C(C)(C)C)c1.
What is the InChIKey of 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is WVSIFPKGRADMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-9-8-11-19(13-16)24-21(25)15-26-20-12-7-6-10-18(20)14-23-17(2)22(3,4)5/h6-13,17,23H,14-15H2,1-5H3,(H,24,25).
What are the key properties of 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 354.49 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 19615651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).