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

C21H35N3O3 — CID 155979393

IUPAC2-[(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
SMILESCCN(CC)C(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2CC1CC1
InChIInChI=1S/C21H35N3O3/c1-3-23(4-2)20(26)10-18-21-15(9-19(25)22-16-7-8-16)12-24(11-14-5-6-14)17(21)13-27-18/h14-18,21H,3-13H2,1-2H3,(H,22,25)/t15-,17-,18+,21-/m1/s1
InChIKeyHOARGUHYUZDDOR-LAVAIGHBSA-N
MW377.53 g/mol
LogP1.64
Rot. Bonds9

About 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

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 (PubChem CID 155979393) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID155979393
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name2-[(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
SMILESCCN(CC)C(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2CC1CC1
InChIInChI=1S/C21H35N3O3/c1-3-23(4-2)20(26)10-18-21-15(9-19(25)22-16-7-8-16)12-24(11-14-5-6-14)17(21)13-27-18/h14-18,21H,3-13H2,1-2H3,(H,22,25)/t15-,17-,18+,21-/m1/s1
InChIKeyHOARGUHYUZDDOR-LAVAIGHBSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2CC1CC1.
What is the InChIKey of 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?
The InChIKey is HOARGUHYUZDDOR-LAVAIGHBSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-3-23(4-2)20(26)10-18-21-15(9-19(25)22-16-7-8-16)12-24(11-14-5-6-14)17(21)13-27-18/h14-18,21H,3-13H2,1-2H3,(H,22,25)/t15-,17-,18+,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 377.53 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155979393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).