(E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide

C18H24N2O3 — CID 102316333

IUPAC(E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide
SMILESCC(C)(C)NC(=O)[C@@H](/C=C/c1ccccc1)N[C@H]1CCOC1=O
InChIInChI=1S/C18H24N2O3/c1-18(2,3)20-16(21)14(19-15-11-12-23-17(15)22)10-9-13-7-5-4-6-8-13/h4-10,14-15,19H,11-12H2,1-3H3,(H,20,21)/b10-9+/t14-,15+/m1/s1
InChIKeyKMXCIJMXPYNKEC-SPZIKGKASA-N
MW316.40 g/mol
LogP1.89
Rot. Bonds5

About (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide

(E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide (PubChem CID 102316333) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide
PubChem CID102316333
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide
SMILESCC(C)(C)NC(=O)[C@@H](/C=C/c1ccccc1)N[C@H]1CCOC1=O
InChIInChI=1S/C18H24N2O3/c1-18(2,3)20-16(21)14(19-15-11-12-23-17(15)22)10-9-13-7-5-4-6-8-13/h4-10,14-15,19H,11-12H2,1-3H3,(H,20,21)/b10-9+/t14-,15+/m1/s1
InChIKeyKMXCIJMXPYNKEC-SPZIKGKASA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-2-phenylacetamide
CID 10661175
2-[(2-oxooxolan-3-yl)amino]propanoic acid
CID 14819286
(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid
CID 18635454
N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 115605485
2-[(2-oxooxolan-3-yl)amino]-N-propan-2-ylpropanamide
CID 46398441
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide
CID 46398330
2-methyl-N-(2-oxooxolan-3-yl)propanamide
CID 23020667
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
(E,2S)-N-tert-butyl-2-hydroxy-4-(4-methylphenyl)but-3-enamide
CID 138982398
(E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide
CID 102453318
3-[1-(4-fluorophenyl)ethylamino]oxolan-2-one
CID 43823959

Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide?
The IUPAC name of (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide (CID 102316333) is (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide.
What is the SMILES notation for (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide?
The canonical SMILES for (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide is CC(C)(C)NC(=O)[C@@H](/C=C/c1ccccc1)N[C@H]1CCOC1=O.
What is the InChIKey of (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide?
The InChIKey is KMXCIJMXPYNKEC-SPZIKGKASA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)20-16(21)14(19-15-11-12-23-17(15)22)10-9-13-7-5-4-6-8-13/h4-10,14-15,19H,11-12H2,1-3H3,(H,20,21)/b10-9+/t14-,15+/m1/s1.
What are the key properties of (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide?
(E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide has a molecular weight of 316.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-N-tert-butyl-2-[[(3S)-2-oxooxolan-3-yl]amino]-4-phenylbut-3-enamide is sourced from PubChem (CID 102316333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).