N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide

C17H31N3O3 — CID 25163204

IUPACN-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)(CNC(=O)CNC(=O)C1CCCCC1)N1CCOCC1
InChIInChI=1S/C17H31N3O3/c1-17(2,20-8-10-23-11-9-20)13-19-15(21)12-18-16(22)14-6-4-3-5-7-14/h14H,3-13H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyHBCMQHGFBZLMTL-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.91
Rot. Bonds6

About N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 25163204) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID25163204
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)(CNC(=O)CNC(=O)C1CCCCC1)N1CCOCC1
InChIInChI=1S/C17H31N3O3/c1-17(2,20-8-10-23-11-9-20)13-19-15(21)12-18-16(22)14-6-4-3-5-7-14/h14H,3-13H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyHBCMQHGFBZLMTL-UHFFFAOYSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
N-(2-morpholinoethyl)-4-pentylcyclohexanecarboxamide
CID 3731631
1-(3-Cyclohexyl-ureido)-cyclohexanecarboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 648415
2-cyclohexyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2286376
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
2-Propyl-pentanoic acid (2-morpholin-4-yl-ethyl)-amide
CID 6602917
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
Proline scaffold, 31
CID 42618128

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide (CID 25163204) is N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide is CC(C)(CNC(=O)CNC(=O)C1CCCCC1)N1CCOCC1.
What is the InChIKey of N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is HBCMQHGFBZLMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-17(2,20-8-10-23-11-9-20)13-19-15(21)12-18-16(22)14-6-4-3-5-7-14/h14H,3-13H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 325.45 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 25163204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).