2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide

C21H26N2O3 — CID 120795542

IUPAC2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCc1c(COc2ccccc2)cccc1NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C21H26N2O3/c1-15-17(14-26-18-7-3-2-4-8-18)6-5-9-19(15)23-21(24)20(22)16-10-12-25-13-11-16/h2-9,16,20H,10-14,22H2,1H3,(H,23,24)
InChIKeyFGPUNGNBCNTSLL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.27
Rot. Bonds6

About 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120795542) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120795542
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCc1c(COc2ccccc2)cccc1NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C21H26N2O3/c1-15-17(14-26-18-7-3-2-4-8-18)6-5-9-19(15)23-21(24)20(22)16-10-12-25-13-11-16/h2-9,16,20H,10-14,22H2,1H3,(H,23,24)
InChIKeyFGPUNGNBCNTSLL-UHFFFAOYSA-N
XLogP3.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride
CID 119810569
2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide
CID 120788842
2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120786132
2-(cyclopropylmethylamino)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide
CID 119810548
2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796053
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792081
1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
CID 71865833
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride
CID 119810549

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide (CID 120795542) is 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide is Cc1c(COc2ccccc2)cccc1NC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is FGPUNGNBCNTSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-17(14-26-18-7-3-2-4-8-18)6-5-9-19(15)23-21(24)20(22)16-10-12-25-13-11-16/h2-9,16,20H,10-14,22H2,1H3,(H,23,24).
What are the key properties of 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120795542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).