N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide

C22H26N4O3 — CID 54840746

IUPACN,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-25(2)21(28)16-8-10-18(11-9-16)23-15-20(27)24-19-7-5-6-17(14-19)22(29)26-12-3-4-13-26/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,24,27)
InChIKeyDIRUKUJLKVKYOV-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.67
Rot. Bonds6

About N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide

N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54840746) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54840746
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-25(2)21(28)16-8-10-18(11-9-16)23-15-20(27)24-19-7-5-6-17(14-19)22(29)26-12-3-4-13-26/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,24,27)
InChIKeyDIRUKUJLKVKYOV-UHFFFAOYSA-N
XLogP2.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843314
N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843436
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromoanilino)acetamide
CID 54810997
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54840746) is N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide is CN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is DIRUKUJLKVKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-25(2)21(28)16-8-10-18(11-9-16)23-15-20(27)24-19-7-5-6-17(14-19)22(29)26-12-3-4-13-26/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,24,27).
What are the key properties of N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54840746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).