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

C22H26N4O3 — CID 54839148

IUPACN-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-23-21(28)16-8-10-18(11-9-16)24-15-20(27)25-19-7-5-6-17(14-19)22(29)26-12-3-4-13-26/h5-11,14,24H,2-4,12-13,15H2,1H3,(H,23,28)(H,25,27)
InChIKeyMRKRWGGVKAHVFY-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.72
Rot. Bonds7

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

N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54839148) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54839148
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-23-21(28)16-8-10-18(11-9-16)24-15-20(27)25-19-7-5-6-17(14-19)22(29)26-12-3-4-13-26/h5-11,14,24H,2-4,12-13,15H2,1H3,(H,23,28)(H,25,27)
InChIKeyMRKRWGGVKAHVFY-UHFFFAOYSA-N
XLogP2.72
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046
N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843069
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54839148) is N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide is CCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is MRKRWGGVKAHVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-23-21(28)16-8-10-18(11-9-16)24-15-20(27)25-19-7-5-6-17(14-19)22(29)26-12-3-4-13-26/h5-11,14,24H,2-4,12-13,15H2,1H3,(H,23,28)(H,25,27).
What are the key properties of N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54839148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).