2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide

C20H25N3O3 — CID 55826262

IUPAC2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C20H25N3O3/c1-15-18(8-11-26-15)20(25)22-13-19(24)21-12-16-6-2-3-7-17(16)14-23-9-4-5-10-23/h2-3,6-8,11H,4-5,9-10,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyNBRQRENAIZHAPB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.23
Rot. Bonds7

About 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide

2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide (PubChem CID 55826262) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
PubChem CID55826262
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C20H25N3O3/c1-15-18(8-11-26-15)20(25)22-13-19(24)21-12-16-6-2-3-7-17(16)14-23-9-4-5-10-23/h2-3,6-8,11H,4-5,9-10,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyNBRQRENAIZHAPB-UHFFFAOYSA-N
XLogP2.23
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55837756
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325
N-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55841381
2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 24551423
3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 24551435
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 33283616
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55843018
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide (CID 55826262) is 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide is Cc1occc1C(=O)NCC(=O)NCc1ccccc1CN1CCCC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide?
The InChIKey is NBRQRENAIZHAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-18(8-11-26-15)20(25)22-13-19(24)21-12-16-6-2-3-7-17(16)14-23-9-4-5-10-23/h2-3,6-8,11H,4-5,9-10,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide?
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 55826262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).