3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide

C23H28N4O3 — CID 54833558

IUPAC3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H28N4O3/c1-16(2)25-22(29)17-7-5-9-19(13-17)24-15-21(28)26-20-10-6-8-18(14-20)23(30)27-11-3-4-12-27/h5-10,13-14,16,24H,3-4,11-12,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyOSCFBXQFCDXDQO-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.11
Rot. Bonds7

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

3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54833558) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54833558
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H28N4O3/c1-16(2)25-22(29)17-7-5-9-19(13-17)24-15-21(28)26-20-10-6-8-18(14-20)23(30)27-11-3-4-12-27/h5-10,13-14,16,24H,3-4,11-12,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyOSCFBXQFCDXDQO-UHFFFAOYSA-N
XLogP3.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide (CID 54833558) is 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is OSCFBXQFCDXDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(2)25-22(29)17-7-5-9-19(13-17)24-15-21(28)26-20-10-6-8-18(14-20)23(30)27-11-3-4-12-27/h5-10,13-14,16,24H,3-4,11-12,15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide?
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 408.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54833558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).