(3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide

C19H25N3O4 — CID 146119881

IUPAC(3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1NC(=O)N1C[C@@H]2[C@H](OCC3CC3)C(=O)N(C)[C@@H]2C1
InChIInChI=1S/C19H25N3O4/c1-21-15-10-22(19(24)20-14-5-3-4-6-16(14)25-2)9-13(15)17(18(21)23)26-11-12-7-8-12/h3-6,12-13,15,17H,7-11H2,1-2H3,(H,20,24)/t13-,15+,17-/m0/s1
InChIKeyQUFBPJZKKIRNMY-LXZKKBNFSA-N
MW359.43 g/mol
LogP1.79
Rot. Bonds5

About (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide

(3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119881) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119881
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1NC(=O)N1C[C@@H]2[C@H](OCC3CC3)C(=O)N(C)[C@@H]2C1
InChIInChI=1S/C19H25N3O4/c1-21-15-10-22(19(24)20-14-5-3-4-6-16(14)25-2)9-13(15)17(18(21)23)26-11-12-7-8-12/h3-6,12-13,15,17H,7-11H2,1-2H3,(H,20,24)/t13-,15+,17-/m0/s1
InChIKeyQUFBPJZKKIRNMY-LXZKKBNFSA-N
XLogP1.79
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

(3S,3aS,6aS)-N-(2-chlorophenyl)-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119878
(3S,3aS,6aS)-5-acetyl-3-(cyclopropylmethoxy)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146119886
(3S,3aS,6aS)-1-benzyl-3-methoxy-N-(2-methoxyphenyl)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119803
(3S,3aS,6aS)-1-benzyl-3-hydroxy-N-(2-methoxyphenyl)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119745
(1R,2R,9S)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 110195019
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680601
(3S,3aS,6aS)-N-(2-chlorophenyl)-1-methyl-3-(2-methylpyrimidin-4-yl)oxy-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119957
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The IUPAC name of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119881) is (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The canonical SMILES for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is COc1ccccc1NC(=O)N1C[C@@H]2[C@H](OCC3CC3)C(=O)N(C)[C@@H]2C1.
What is the InChIKey of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is QUFBPJZKKIRNMY-LXZKKBNFSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-21-15-10-22(19(24)20-14-5-3-4-6-16(14)25-2)9-13(15)17(18(21)23)26-11-12-7-8-12/h3-6,12-13,15,17H,7-11H2,1-2H3,(H,20,24)/t13-,15+,17-/m0/s1.
What are the key properties of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
(3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyphenyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is sourced from PubChem (CID 146119881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).