4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide

C13H23N3O3 — CID 83095670

IUPAC4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide
SMILESCC1CCC(C(=O)N2CCOCC2C(N)=O)CC1N
InChIInChI=1S/C13H23N3O3/c1-8-2-3-9(6-10(8)14)13(18)16-4-5-19-7-11(16)12(15)17/h8-11H,2-7,14H2,1H3,(H2,15,17)
InChIKeySEFYWSFSVZDQAA-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.54
Rot. Bonds2

About 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide

4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide (PubChem CID 83095670) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide
PubChem CID83095670
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide
SMILESCC1CCC(C(=O)N2CCOCC2C(N)=O)CC1N
InChIInChI=1S/C13H23N3O3/c1-8-2-3-9(6-10(8)14)13(18)16-4-5-19-7-11(16)12(15)17/h8-11H,2-7,14H2,1H3,(H2,15,17)
InChIKeySEFYWSFSVZDQAA-UHFFFAOYSA-N
XLogP-0.54
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3-methylcyclohexanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83104925
4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide
CID 83095299
4-(3-aminocyclopentanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83098008
4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide
CID 83101702
4-(5-oxopyrrolidine-3-carbonyl)morpholine-3-carboxamide
CID 83093489
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-4-methylcyclohexyl)methanone
CID 62781711
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62781610
[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 124866912
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(piperidine-2-carbonyl)morpholine-3-carboxamide
CID 83101241

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide (CID 83095670) is 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide is CC1CCC(C(=O)N2CCOCC2C(N)=O)CC1N.
What is the InChIKey of 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide?
The InChIKey is SEFYWSFSVZDQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8-2-3-9(6-10(8)14)13(18)16-4-5-19-7-11(16)12(15)17/h8-11H,2-7,14H2,1H3,(H2,15,17).
What are the key properties of 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide?
4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83095670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).