N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide

C15H20N2O3 — CID 155556695

IUPACN-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccc(NCC(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)11-3-5-12(6-4-11)16-9-14(18)17-13-7-8-20-15(13)19/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyDSVAYAZAGIOURP-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.65
Rot. Bonds5

About N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide

N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide (PubChem CID 155556695) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide
PubChem CID155556695
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccc(NCC(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)11-3-5-12(6-4-11)16-9-14(18)17-13-7-8-20-15(13)19/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyDSVAYAZAGIOURP-ZDUSSCGKSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide (CID 155556695) is N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide is CC(C)c1ccc(NCC(=O)N[C@H]2CCOC2=O)cc1.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide?
The InChIKey is DSVAYAZAGIOURP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)11-3-5-12(6-4-11)16-9-14(18)17-13-7-8-20-15(13)19/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide?
N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-2-(4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 155556695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).