3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide

C20H30ClN3O3 — CID 55550745

IUPAC3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
SMILESCCC(CC)C(CNC(=O)CNC(=O)c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H30ClN3O3/c1-3-15(4-2)18(24-8-10-27-11-9-24)13-22-19(25)14-23-20(26)16-6-5-7-17(21)12-16/h5-7,12,15,18H,3-4,8-11,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyYYNOIYRDPROIEC-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.32
Rot. Bonds9

About 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide (PubChem CID 55550745) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
PubChem CID55550745
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
SMILESCCC(CC)C(CNC(=O)CNC(=O)c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H30ClN3O3/c1-3-15(4-2)18(24-8-10-27-11-9-24)13-22-19(25)14-23-20(26)16-6-5-7-17(21)12-16/h5-7,12,15,18H,3-4,8-11,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyYYNOIYRDPROIEC-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
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CID 55731335
N-[2-[(3-methyl-2-morpholin-4-ylbutyl)amino]-2-oxoethyl]-3-nitrobenzamide
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N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
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2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
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N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134053109
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43046384
2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 60524780
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746
5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 43046378

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide (CID 55550745) is 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide is CCC(CC)C(CNC(=O)CNC(=O)c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide?
The InChIKey is YYNOIYRDPROIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3/c1-3-15(4-2)18(24-8-10-27-11-9-24)13-22-19(25)14-23-20(26)16-6-5-7-17(21)12-16/h5-7,12,15,18H,3-4,8-11,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide has a molecular weight of 395.93 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55550745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).