N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide

C24H30N4O3 — CID 54843069

IUPACN-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C24H30N4O3/c1-3-25-23(30)18-7-9-20(10-8-18)27-22(29)16-26-21-6-4-5-19(15-21)24(31)28-13-11-17(2)12-14-28/h4-10,15,17,26H,3,11-14,16H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyDEWGABWMYXCPRX-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.36
Rot. Bonds7

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

N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54843069) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54843069
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C24H30N4O3/c1-3-25-23(30)18-7-9-20(10-8-18)27-22(29)16-26-21-6-4-5-19(15-21)24(31)28-13-11-17(2)12-14-28/h4-10,15,17,26H,3,11-14,16H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyDEWGABWMYXCPRX-UHFFFAOYSA-N
XLogP3.36
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839291
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
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
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-butyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833542
N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54842914
3-methyl-N-[4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54843132
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834474
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54843069) is N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)cc1.
What is the InChIKey of N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is DEWGABWMYXCPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-3-25-23(30)18-7-9-20(10-8-18)27-22(29)16-26-21-6-4-5-19(15-21)24(31)28-13-11-17(2)12-14-28/h4-10,15,17,26H,3,11-14,16H2,1-2H3,(H,25,30)(H,27,29).
What are the key properties of N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.36, 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-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54843069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).