N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide

C24H28N4O4 — CID 26313419

IUPACN,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C24H28N4O4/c1-3-27(4-2)24(32)18-7-5-8-19(15-18)26-21(29)16-25-23(31)17-10-12-20(13-11-17)28-14-6-9-22(28)30/h5,7-8,10-13,15H,3-4,6,9,14,16H2,1-2H3,(H,25,31)(H,26,29)
InChIKeySQAGVMRHXXCYJM-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.66
Rot. Bonds8

About N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide

N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide (PubChem CID 26313419) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
PubChem CID26313419
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C24H28N4O4/c1-3-27(4-2)24(32)18-7-5-8-19(15-18)26-21(29)16-25-23(31)17-10-12-20(13-11-17)28-14-6-9-22(28)30/h5,7-8,10-13,15H,3-4,6,9,14,16H2,1-2H3,(H,25,31)(H,26,29)
InChIKeySQAGVMRHXXCYJM-UHFFFAOYSA-N
XLogP2.66
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38824667
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
methyl 3-[2-[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]ethynyl]benzoate
CID 30712549
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960
N,N-dimethyl-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 51339093
N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 32620770
N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9319832
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide (CID 26313419) is N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide?
The InChIKey is SQAGVMRHXXCYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-27(4-2)24(32)18-7-5-8-19(15-18)26-21(29)16-25-23(31)17-10-12-20(13-11-17)28-14-6-9-22(28)30/h5,7-8,10-13,15H,3-4,6,9,14,16H2,1-2H3,(H,25,31)(H,26,29).
What are the key properties of N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide?
N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 26313419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).