4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide

C11H21N3O2 — CID 62782835

IUPAC4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCNC(=O)CNC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C11H21N3O2/c1-7-5-8(3-4-9(7)12)11(16)14-6-10(15)13-2/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVNYUOVDYVOOFAS-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.39
Rot. Bonds3

About 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide

4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 62782835) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID62782835
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCNC(=O)CNC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C11H21N3O2/c1-7-5-8(3-4-9(7)12)11(16)14-6-10(15)13-2/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVNYUOVDYVOOFAS-UHFFFAOYSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63231231
2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate
CID 83215209
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 55139778
4-amino-3-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522321
4-amino-N-(3,5-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64733535
3-amino-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 66032086

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 62782835) is 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide is CNC(=O)CNC(=O)C1CCC(N)C(C)C1.
What is the InChIKey of 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is VNYUOVDYVOOFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7-5-8(3-4-9(7)12)11(16)14-6-10(15)13-2/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62782835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).