N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide

C20H26N2O2 — CID 91233369

IUPACN-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide
SMILESCOc1cccc(CN(C(=O)C2=CCC3CNCC23)C2CC2)c1C
InChIInChI=1S/C20H26N2O2/c1-13-15(4-3-5-19(13)24-2)12-22(16-7-8-16)20(23)17-9-6-14-10-21-11-18(14)17/h3-5,9,14,16,18,21H,6-8,10-12H2,1-2H3
InChIKeyHCJRRZWQWNLIOJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide

N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide (PubChem CID 91233369) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide
PubChem CID91233369
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide
SMILESCOc1cccc(CN(C(=O)C2=CCC3CNCC23)C2CC2)c1C
InChIInChI=1S/C20H26N2O2/c1-13-15(4-3-5-19(13)24-2)12-22(16-7-8-16)20(23)17-9-6-14-10-21-11-18(14)17/h3-5,9,14,16,18,21H,6-8,10-12H2,1-2H3
InChIKeyHCJRRZWQWNLIOJ-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide (CID 91233369) is N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide is COc1cccc(CN(C(=O)C2=CCC3CNCC23)C2CC2)c1C.
What is the InChIKey of N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide?
The InChIKey is HCJRRZWQWNLIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-15(4-3-5-19(13)24-2)12-22(16-7-8-16)20(23)17-9-6-14-10-21-11-18(14)17/h3-5,9,14,16,18,21H,6-8,10-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide?
N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide is sourced from PubChem (CID 91233369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).