N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C25H28N4O4 — CID 43043526

IUPACN-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H28N4O4/c30-22(26-16-18-5-7-20(8-6-18)25(33)28-13-1-2-14-28)17-27-24(32)19-9-11-21(12-10-19)29-15-3-4-23(29)31/h5-12H,1-4,13-17H2,(H,26,30)(H,27,32)
InChIKeyMYUHWMYAOKCHKN-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.10
Rot. Bonds7

About N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 43043526) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID43043526
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H28N4O4/c30-22(26-16-18-5-7-20(8-6-18)25(33)28-13-1-2-14-28)17-27-24(32)19-9-11-21(12-10-19)29-15-3-4-23(29)31/h5-12H,1-4,13-17H2,(H,26,30)(H,27,32)
InChIKeyMYUHWMYAOKCHKN-UHFFFAOYSA-N
XLogP2.10
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32771555
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 27171752
N-[3-[[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55954128
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 8589592
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 8589532
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 43043526) is N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MYUHWMYAOKCHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-22(26-16-18-5-7-20(8-6-18)25(33)28-13-1-2-14-28)17-27-24(32)19-9-11-21(12-10-19)29-15-3-4-23(29)31/h5-12H,1-4,13-17H2,(H,26,30)(H,27,32).
What are the key properties of N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 448.52 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 43043526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).