2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide

C13H25N3O2 — CID 62781433

IUPAC2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide
SMILESCCNC(=O)CN(C)C(=O)C1C(C)CCCC1N
InChIInChI=1S/C13H25N3O2/c1-4-15-11(17)8-16(3)13(18)12-9(2)6-5-7-10(12)14/h9-10,12H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyUBIKRXNENTUJKT-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.34
Rot. Bonds4

About 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide

2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide (PubChem CID 62781433) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide
PubChem CID62781433
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide
SMILESCCNC(=O)CN(C)C(=O)C1C(C)CCCC1N
InChIInChI=1S/C13H25N3O2/c1-4-15-11(17)8-16(3)13(18)12-9(2)6-5-7-10(12)14/h9-10,12H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyUBIKRXNENTUJKT-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide
CID 62782009
2-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylcyclohexane-1-carboxamide
CID 114953757
2-amino-N,6-dimethyl-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707626
2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 62781434
2-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 64825146
2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide
CID 55114970
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62776844
2-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-6-methylcyclohexane-1-carboxamide
CID 55116655
4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210568
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782674
2-(cyclopentylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 60963540

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide (CID 62781433) is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide is CCNC(=O)CN(C)C(=O)C1C(C)CCCC1N.
What is the InChIKey of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide?
The InChIKey is UBIKRXNENTUJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-15-11(17)8-16(3)13(18)12-9(2)6-5-7-10(12)14/h9-10,12H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide?
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).