N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide

C16H22N2O3 — CID 10661175

IUPACN-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide
SMILESCC(C)(C)NC(=O)C(N[C@H]1CCOC1=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)18-14(19)13(11-7-5-4-6-8-11)17-12-9-10-21-15(12)20/h4-8,12-13,17H,9-10H2,1-3H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyDFIZPWSMPOKVNH-UEWDXFNNSA-N
MW290.36 g/mol
LogP1.55
Rot. Bonds4

About N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide

N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide (PubChem CID 10661175) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide
PubChem CID10661175
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide
SMILESCC(C)(C)NC(=O)C(N[C@H]1CCOC1=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)18-14(19)13(11-7-5-4-6-8-11)17-12-9-10-21-15(12)20/h4-8,12-13,17H,9-10H2,1-3H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyDFIZPWSMPOKVNH-UEWDXFNNSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide
CID 102316333
(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid
CID 18635454
3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one
CID 43823959
3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one
CID 43823969
2-[(2-oxooxolan-3-yl)amino]-N-propan-2-ylpropanamide
CID 46398441
2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide
CID 46398330
2-methyl-N-(2-oxooxolan-3-yl)propanamide
CID 23020667
3-[1-(2,4-dichlorophenyl)ethylamino]oxolan-2-one
CID 43823973
N-tert-butyl-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 54271969
N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide
CID 7224488
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
3-(2-hydroxyanilino)oxolan-2-one
CID 21306567

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide?
The IUPAC name of N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide (CID 10661175) is N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide.
What is the SMILES notation for N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide?
The canonical SMILES for N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide is CC(C)(C)NC(=O)C(N[C@H]1CCOC1=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide?
The InChIKey is DFIZPWSMPOKVNH-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)18-14(19)13(11-7-5-4-6-8-11)17-12-9-10-21-15(12)20/h4-8,12-13,17H,9-10H2,1-3H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide?
N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 10661175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).