N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide

C20H25N3O4 — CID 85487201

IUPACN-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CN1CCCC1C(=O)NCc1ccco1
InChIInChI=1S/C20H25N3O4/c1-26-18-9-3-2-6-15(18)12-21-19(24)14-23-10-4-8-17(23)20(25)22-13-16-7-5-11-27-16/h2-3,5-7,9,11,17H,4,8,10,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBAKHBNZNWNALSS-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.69
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 85487201) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID85487201
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CN1CCCC1C(=O)NCc1ccco1
InChIInChI=1S/C20H25N3O4/c1-26-18-9-3-2-6-15(18)12-21-19(24)14-23-10-4-8-17(23)20(25)22-13-16-7-5-11-27-16/h2-3,5-7,9,11,17H,4,8,10,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBAKHBNZNWNALSS-UHFFFAOYSA-N
XLogP1.69
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 78857324
N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55590977
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300
9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 164781527
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 56500927
N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 42885954
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 47529832
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 85487201) is N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)CN1CCCC1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is BAKHBNZNWNALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-18-9-3-2-6-15(18)12-21-19(24)14-23-10-4-8-17(23)20(25)22-13-16-7-5-11-27-16/h2-3,5-7,9,11,17H,4,8,10,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 85487201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).