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

C22H28N2O3 — CID 120790252

IUPAC2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
SMILESNC(C(=O)Nc1cccc(COCCc2ccccc2)c1)C1CCOCC1
InChIInChI=1S/C22H28N2O3/c23-21(19-10-13-26-14-11-19)22(25)24-20-8-4-7-18(15-20)16-27-12-9-17-5-2-1-3-6-17/h1-8,15,19,21H,9-14,16,23H2,(H,24,25)
InChIKeyVRENNOPPAXMITA-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.14
Rot. Bonds8

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

2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide (PubChem CID 120790252) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
PubChem CID120790252
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
SMILESNC(C(=O)Nc1cccc(COCCc2ccccc2)c1)C1CCOCC1
InChIInChI=1S/C22H28N2O3/c23-21(19-10-13-26-14-11-19)22(25)24-20-8-4-7-18(15-20)16-27-12-9-17-5-2-1-3-6-17/h1-8,15,19,21H,9-14,16,23H2,(H,24,25)
InChIKeyVRENNOPPAXMITA-UHFFFAOYSA-N
XLogP3.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
CID 120787393
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590
(2S)-2-amino-4-methylsulfanyl-N-[3-(2-phenylethoxymethyl)phenyl]butanamide
CID 119306583
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639
2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120789988
2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride
CID 119754410
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide (CID 120790252) is 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide is NC(C(=O)Nc1cccc(COCCc2ccccc2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide?
The InChIKey is VRENNOPPAXMITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c23-21(19-10-13-26-14-11-19)22(25)24-20-8-4-7-18(15-20)16-27-12-9-17-5-2-1-3-6-17/h1-8,15,19,21H,9-14,16,23H2,(H,24,25).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide is sourced from PubChem (CID 120790252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).