2-amino-N-benzyl-2-(oxan-4-yl)acetamide

C14H20N2O2 — CID 120782611

IUPAC2-amino-N-benzyl-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c15-13(12-6-8-18-9-7-12)14(17)16-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChIKeyCQUGAFGBRVTGLT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds4

About 2-amino-N-benzyl-2-(oxan-4-yl)acetamide

2-amino-N-benzyl-2-(oxan-4-yl)acetamide (PubChem CID 120782611) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-benzyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-benzyl-2-(oxan-4-yl)acetamide
PubChem CID120782611
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-benzyl-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c15-13(12-6-8-18-9-7-12)14(17)16-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChIKeyCQUGAFGBRVTGLT-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797734
2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120794368
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-benzyl-2-(oxan-4-yl)acetamide (CID 120782611) is 2-amino-N-benzyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-benzyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-benzyl-2-(oxan-4-yl)acetamide is NC(C(=O)NCc1ccccc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-benzyl-2-(oxan-4-yl)acetamide?
The InChIKey is CQUGAFGBRVTGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(12-6-8-18-9-7-12)14(17)16-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17).
What are the key properties of 2-amino-N-benzyl-2-(oxan-4-yl)acetamide?
2-amino-N-benzyl-2-(oxan-4-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120782611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).