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

C23H28N4O3 — CID 54838048

IUPACN-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C23H28N4O3/c1-2-24-22(29)17-8-6-10-19(14-17)25-16-21(28)26-20-11-7-9-18(15-20)23(30)27-12-4-3-5-13-27/h6-11,14-15,25H,2-5,12-13,16H2,1H3,(H,24,29)(H,26,28)
InChIKeyMOVPDVMGCHNNRX-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.11
Rot. Bonds7

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

N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54838048) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54838048
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C23H28N4O3/c1-2-24-22(29)17-8-6-10-19(14-17)25-16-21(28)26-20-11-7-9-18(15-20)23(30)27-12-4-3-5-13-27/h6-11,14-15,25H,2-5,12-13,16H2,1H3,(H,24,29)(H,26,28)
InChIKeyMOVPDVMGCHNNRX-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

N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
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
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
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54841375
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54838048) is N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is CCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is MOVPDVMGCHNNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-2-24-22(29)17-8-6-10-19(14-17)25-16-21(28)26-20-11-7-9-18(15-20)23(30)27-12-4-3-5-13-27/h6-11,14-15,25H,2-5,12-13,16H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide 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 N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54838048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).