trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide

C11H21N3O2 — CID 59006541

IUPACtrans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide
SMILESCNC(=O)N[C@@H]1CCCC[C@H]1C(=O)N(C)C
InChIInChI=1S/C11H21N3O2/c1-12-11(16)13-9-7-5-4-6-8(9)10(15)14(2)3/h8-9H,4-7H2,1-3H3,(H2,12,13,16)/t8-,9-/m1/s1
InChIKeyOOYNXXLPCUZKTJ-RKDXNWHRSA-N
MW227.31 g/mol
LogP0.56
Rot. Bonds2

About trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide

trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide (PubChem CID 59006541) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide
PubChem CID59006541
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nametrans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide
SMILESCNC(=O)N[C@@H]1CCCC[C@H]1C(=O)N(C)C
InChIInChI=1S/C11H21N3O2/c1-12-11(16)13-9-7-5-4-6-8(9)10(15)14(2)3/h8-9H,4-7H2,1-3H3,(H2,12,13,16)/t8-,9-/m1/s1
InChIKeyOOYNXXLPCUZKTJ-RKDXNWHRSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide (CID 59006541) is trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide is CNC(=O)N[C@@H]1CCCC[C@H]1C(=O)N(C)C.
What is the InChIKey of trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide?
The InChIKey is OOYNXXLPCUZKTJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-12-11(16)13-9-7-5-4-6-8(9)10(15)14(2)3/h8-9H,4-7H2,1-3H3,(H2,12,13,16)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide?
trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N,N-dimethyl-2-(methylcarbamoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 59006541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).