2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide

C17H25N3O3 — CID 120794368

IUPAC2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
SMILESCN(CC(=O)NCc1ccccc1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-20(17(22)16(18)14-7-9-23-10-8-14)12-15(21)19-11-13-5-3-2-4-6-13/h2-6,14,16H,7-12,18H2,1H3,(H,19,21)
InChIKeyCUQCONYEODTDIN-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.52
Rot. Bonds6

About 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide

2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide (PubChem CID 120794368) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
PubChem CID120794368
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
SMILESCN(CC(=O)NCc1ccccc1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-20(17(22)16(18)14-7-9-23-10-8-14)12-15(21)19-11-13-5-3-2-4-6-13/h2-6,14,16H,7-12,18H2,1H3,(H,19,21)
InChIKeyCUQCONYEODTDIN-UHFFFAOYSA-N
XLogP0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 120793298
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894
2-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783916
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783983
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783893
3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 120787755
2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791947
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797734
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786847
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide (CID 120794368) is 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide is CN(CC(=O)NCc1ccccc1)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide?
The InChIKey is CUQCONYEODTDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(17(22)16(18)14-7-9-23-10-8-14)12-15(21)19-11-13-5-3-2-4-6-13/h2-6,14,16H,7-12,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide has a molecular weight of 319.40 g/mol, XLogP of 0.52, 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-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120794368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).