2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide

C20H23N3O4 — CID 86822812

IUPAC2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)o1
InChIInChI=1S/C20H23N3O4/c1-13-11-17(14(2)27-13)19(25)21-12-18(24)22-16-7-5-15(6-8-16)20(26)23-9-3-4-10-23/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyAZNOBWCZLDPTPE-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.50
Rot. Bonds5

About 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide (PubChem CID 86822812) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
PubChem CID86822812
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)o1
InChIInChI=1S/C20H23N3O4/c1-13-11-17(14(2)27-13)19(25)21-12-18(24)22-16-7-5-15(6-8-16)20(26)23-9-3-4-10-23/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyAZNOBWCZLDPTPE-UHFFFAOYSA-N
XLogP2.50
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
CID 55888356
2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
CID 48500676
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
2,5-dimethyl-N-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 55876090
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841740
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide (CID 86822812) is 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide?
The InChIKey is AZNOBWCZLDPTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-11-17(14(2)27-13)19(25)21-12-18(24)22-16-7-5-15(6-8-16)20(26)23-9-3-4-10-23/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 86822812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).