2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

C19H27N3O4 — CID 120657442

IUPAC2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(C(=O)N2C[C@H]3CNC[C@H]3C2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C19H27N3O4/c1-12(2)21-18(23)11-26-16-5-4-13(6-17(16)25-3)19(24)22-9-14-7-20-8-15(14)10-22/h4-6,12,14-15,20H,7-11H2,1-3H3,(H,21,23)/t14-,15+
InChIKeyVSWNFZOVRSNGIB-GASCZTMLSA-N
MW361.44 g/mol
LogP0.89
Rot. Bonds6

About 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 120657442) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
PubChem CID120657442
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(C(=O)N2C[C@H]3CNC[C@H]3C2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C19H27N3O4/c1-12(2)21-18(23)11-26-16-5-4-13(6-17(16)25-3)19(24)22-9-14-7-20-8-15(14)10-22/h4-6,12,14-15,20H,7-11H2,1-3H3,(H,21,23)/t14-,15+
InChIKeyVSWNFZOVRSNGIB-GASCZTMLSA-N
XLogP0.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 119380963
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 120657561
2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 55851382
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 66212567
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443929
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-7-carboxamide
CID 166554045
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (CID 120657442) is 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is COc1cc(C(=O)N2C[C@H]3CNC[C@H]3C2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The InChIKey is VSWNFZOVRSNGIB-GASCZTMLSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12(2)21-18(23)11-26-16-5-4-13(6-17(16)25-3)19(24)22-9-14-7-20-8-15(14)10-22/h4-6,12,14-15,20H,7-11H2,1-3H3,(H,21,23)/t14-,15+.
What are the key properties of 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 361.44 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 120657442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).