2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

C15H23N3O3S — CID 120793298

IUPAC2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCN(CC(=O)NCc1cccs1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C15H23N3O3S/c1-18(10-13(19)17-9-12-3-2-8-22-12)15(20)14(16)11-4-6-21-7-5-11/h2-3,8,11,14H,4-7,9-10,16H2,1H3,(H,17,19)
InChIKeyDYSZOEFZRNELFU-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.58
Rot. Bonds6

About 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (PubChem CID 120793298) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
PubChem CID120793298
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCN(CC(=O)NCc1cccs1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C15H23N3O3S/c1-18(10-13(19)17-9-12-3-2-8-22-12)15(20)14(16)11-4-6-21-7-5-11/h2-3,8,11,14H,4-7,9-10,16H2,1H3,(H,17,19)
InChIKeyDYSZOEFZRNELFU-UHFFFAOYSA-N
XLogP0.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120794368
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
2-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783916
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894
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
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 120787755
N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119324788
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784326
2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791947
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 120801738

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (CID 120793298) is 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is CN(CC(=O)NCc1cccs1)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The InChIKey is DYSZOEFZRNELFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-18(10-13(19)17-9-12-3-2-8-22-12)15(20)14(16)11-4-6-21-7-5-11/h2-3,8,11,14H,4-7,9-10,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 120793298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).