4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide

C20H37N3O3 — CID 3390135

IUPAC4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC(C(=O)NCCN2CCOCC2)C(C)C)CC1
InChIInChI=1S/C20H37N3O3/c1-4-16-5-7-17(8-6-16)19(24)22-18(15(2)3)20(25)21-9-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyQSDJFTQOLWZUAO-UHFFFAOYSA-N
MW367.53 g/mol
LogP1.79
Rot. Bonds8

About 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide

4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 3390135) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
PubChem CID3390135
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Name4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC(C(=O)NCCN2CCOCC2)C(C)C)CC1
InChIInChI=1S/C20H37N3O3/c1-4-16-5-7-17(8-6-16)19(24)22-18(15(2)3)20(25)21-9-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyQSDJFTQOLWZUAO-UHFFFAOYSA-N
XLogP1.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
Isostearamidopropyl morpholine
CID 52538
N-(2-morpholinoethyl)-4-pentylcyclohexanecarboxamide
CID 3731631
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
ethyl 4-{[N-(cyclohexylcarbonyl)leucyl]amino}piperidine-1-carboxylate
CID 3244566
ethyl N-[(4-methylcyclohexyl)carbonyl]isoleucylglycinate
CID 3245408
ethyl 4-({N-[(4-methylcyclohexyl)carbonyl]leucyl}amino)piperidine-1-carboxylate
CID 9550536
Morpholine-4-carboxylic acid {1-[(cyano-dimethyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10893503
3-cyclohexyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1537522
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexanecarboxamide
CID 15991680
4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
CID 3238919
Proline scaffold, 11
CID 42618109

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide (CID 3390135) is 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide is CCC1CCC(C(=O)NC(C(=O)NCCN2CCOCC2)C(C)C)CC1.
What is the InChIKey of 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is QSDJFTQOLWZUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-4-16-5-7-17(8-6-16)19(24)22-18(15(2)3)20(25)21-9-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 367.53 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3390135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).