2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide

C19H33N3O3 — CID 155979280

IUPAC2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
SMILESCC(C)NC(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2C(C)C
InChIInChI=1S/C19H33N3O3/c1-11(2)20-18(24)8-16-19-13(7-17(23)21-14-5-6-14)9-22(12(3)4)15(19)10-25-16/h11-16,19H,5-10H2,1-4H3,(H,20,24)(H,21,23)/t13-,15-,16+,19-/m1/s1
InChIKeyNHYYVGBBEYGSPE-JNNRSPCRSA-N
MW351.49 g/mol
LogP1.29
Rot. Bonds7

About 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide

2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide (PubChem CID 155979280) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
PubChem CID155979280
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
SMILESCC(C)NC(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2C(C)C
InChIInChI=1S/C19H33N3O3/c1-11(2)20-18(24)8-16-19-13(7-17(23)21-14-5-6-14)9-22(12(3)4)15(19)10-25-16/h11-16,19H,5-10H2,1-4H3,(H,20,24)(H,21,23)/t13-,15-,16+,19-/m1/s1
InChIKeyNHYYVGBBEYGSPE-JNNRSPCRSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide with MolForge

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Related Compounds

2-[(3S,3aR,4S,6aS)-1-(cyclopropylmethyl)-4-[2-(diethylamino)-2-oxoethyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
CID 155979393
2-[(3S,3aR,4S,6aS)-1-(oxetan-3-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide
CID 155979403
2-[(3S,3aR,4S,6aS)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
CID 155979279
2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
CID 155979294
2-[(3S,3aR,4S,6aS)-1-[(4-fluorophenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide
CID 155979435
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide
CID 155979507
N-cyclopropyl-2-(1-methylpiperidin-3-yl)acetamide
CID 110848024
2-(1-ethylazetidin-3-yl)-N-propan-2-ylacetamide
CID 135224952
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
N-cyclopentyl-2-(2-methylcyclopropyl)acetamide
CID 130890904
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide (CID 155979280) is 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide is CC(C)NC(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2C(C)C.
What is the InChIKey of 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide?
The InChIKey is NHYYVGBBEYGSPE-JNNRSPCRSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-11(2)20-18(24)8-16-19-13(7-17(23)21-14-5-6-14)9-22(12(3)4)15(19)10-25-16/h11-16,19H,5-10H2,1-4H3,(H,20,24)(H,21,23)/t13-,15-,16+,19-/m1/s1.
What are the key properties of 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide?
2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide has a molecular weight of 351.49 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aR,4S,6aS)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 155979280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).