4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide

C18H24N2O4 — CID 125131132

IUPAC4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide
SMILESC[C@H]1C[C@@H](NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O1
InChIInChI=1S/C18H24N2O4/c1-11-9-14(17(23)24-11)20-15(21)10-19-16(22)12-5-7-13(8-6-12)18(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,22)(H,20,21)/t11-,14+/m0/s1
InChIKeyVXGYNPIVYJXWIK-SMDDNHRTSA-N
MW332.40 g/mol
LogP1.53
Rot. Bonds4

About 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 125131132) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID125131132
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide
SMILESC[C@H]1C[C@@H](NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O1
InChIInChI=1S/C18H24N2O4/c1-11-9-14(17(23)24-11)20-15(21)10-19-16(22)12-5-7-13(8-6-12)18(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,22)(H,20,21)/t11-,14+/m0/s1
InChIKeyVXGYNPIVYJXWIK-SMDDNHRTSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide (CID 125131132) is 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide is C[C@H]1C[C@@H](NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O1.
What is the InChIKey of 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is VXGYNPIVYJXWIK-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-9-14(17(23)24-11)20-15(21)10-19-16(22)12-5-7-13(8-6-12)18(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,22)(H,20,21)/t11-,14+/m0/s1.
What are the key properties of 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 125131132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).