2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide

C26H37N3O3 — CID 155979626

IUPAC2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1CN(CCc2ccccc2)[C@@H]2CO[C@@H](CC(=O)N(C)C3CC3)[C@H]12)C1CC1
InChIInChI=1S/C26H37N3O3/c1-27(20-8-9-20)24(30)14-19-16-29(13-12-18-6-4-3-5-7-18)22-17-32-23(26(19)22)15-25(31)28(2)21-10-11-21/h3-7,19-23,26H,8-17H2,1-2H3/t19-,22-,23+,26-/m1/s1
InChIKeyPMVXPECPCWVDCV-BLZYYQICSA-N
MW439.60 g/mol
LogP2.57
Rot. Bonds9

About 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide

2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 155979626) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID155979626
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1CN(CCc2ccccc2)[C@@H]2CO[C@@H](CC(=O)N(C)C3CC3)[C@H]12)C1CC1
InChIInChI=1S/C26H37N3O3/c1-27(20-8-9-20)24(30)14-19-16-29(13-12-18-6-4-3-5-7-18)22-17-32-23(26(19)22)15-25(31)28(2)21-10-11-21/h3-7,19-23,26H,8-17H2,1-2H3/t19-,22-,23+,26-/m1/s1
InChIKeyPMVXPECPCWVDCV-BLZYYQICSA-N
XLogP2.57
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide with MolForge

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Related Compounds

N-benzyl-2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetamide
CID 61488975
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
[(3aS,6R,7aS)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 124787966
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411925
(2R,3aR,6R,7R,7aS)-2-methyl-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,6,7-triol
CID 56590526
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
N-cyclohexyl-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-methylacetamide
CID 53334656
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide (CID 155979626) is 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide is CN(C(=O)C[C@@H]1CN(CCc2ccccc2)[C@@H]2CO[C@@H](CC(=O)N(C)C3CC3)[C@H]12)C1CC1.
What is the InChIKey of 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is PMVXPECPCWVDCV-BLZYYQICSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-27(20-8-9-20)24(30)14-19-16-29(13-12-18-6-4-3-5-7-18)22-17-32-23(26(19)22)15-25(31)28(2)21-10-11-21/h3-7,19-23,26H,8-17H2,1-2H3/t19-,22-,23+,26-/m1/s1.
What are the key properties of 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide?
2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 439.60 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aR,4S,6aS)-4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 155979626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).