N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide

C22H36N4O3 — CID 46439821

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCC(CC)C(CNC(=O)c1cccc(NC(=O)NC(C)C)c1)N1CCOCC1
InChIInChI=1S/C22H36N4O3/c1-5-17(6-2)20(26-10-12-29-13-11-26)15-23-21(27)18-8-7-9-19(14-18)25-22(28)24-16(3)4/h7-9,14,16-17,20H,5-6,10-13,15H2,1-4H3,(H,23,27)(H2,24,25,28)
InChIKeyFQKKILZQKHDHHE-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.08
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 46439821) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID46439821
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCC(CC)C(CNC(=O)c1cccc(NC(=O)NC(C)C)c1)N1CCOCC1
InChIInChI=1S/C22H36N4O3/c1-5-17(6-2)20(26-10-12-29-13-11-26)15-23-21(27)18-8-7-9-19(14-18)25-22(28)24-16(3)4/h7-9,14,16-17,20H,5-6,10-13,15H2,1-4H3,(H,23,27)(H2,24,25,28)
InChIKeyFQKKILZQKHDHHE-UHFFFAOYSA-N
XLogP3.08
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134053109
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43046384
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 46493943
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650150
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 46439821) is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide is CCC(CC)C(CNC(=O)c1cccc(NC(=O)NC(C)C)c1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is FQKKILZQKHDHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-5-17(6-2)20(26-10-12-29-13-11-26)15-23-21(27)18-8-7-9-19(14-18)25-22(28)24-16(3)4/h7-9,14,16-17,20H,5-6,10-13,15H2,1-4H3,(H,23,27)(H2,24,25,28).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 404.56 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 46439821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).