(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide

C15H21N3O2 — CID 118788669

IUPAC(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@H]3CNC[C@H]32)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-10-7-12(20-2)3-4-13(10)17-15(19)18-6-5-11-8-16-9-14(11)18/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
InChIKeyRZYPQNIQXKNUQN-SMDDNHRTSA-N
MW275.35 g/mol
LogP1.83
Rot. Bonds2

About (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide

(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide (PubChem CID 118788669) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
PubChem CID118788669
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@H]3CNC[C@H]32)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-10-7-12(20-2)3-4-13(10)17-15(19)18-6-5-11-8-16-9-14(11)18/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
InChIKeyRZYPQNIQXKNUQN-SMDDNHRTSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide with MolForge

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Related Compounds

(3aS,6aS)-N-(4-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 43596677
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62871728
(1R,5S)-8-hydroxy-N-(4-methoxy-2-methylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 118789979
N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 71915900
2-(azetidin-3-yl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 64612053
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
ethyl 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-2-yl]acetate
CID 56890366
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122328954
2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330056
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The IUPAC name of (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide (CID 118788669) is (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The canonical SMILES for (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide is COc1ccc(NC(=O)N2CC[C@H]3CNC[C@H]32)c(C)c1.
What is the InChIKey of (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The InChIKey is RZYPQNIQXKNUQN-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-7-12(20-2)3-4-13(10)17-15(19)18-6-5-11-8-16-9-14(11)18/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3,(H,17,19)/t11-,14+/m0/s1.
What are the key properties of (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide is sourced from PubChem (CID 118788669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).