2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide

C14H27N3O2 — CID 51109242

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-14(2,3)10-7-5-6-8-11(10)16-9-12(18)17-13(19)15-4/h10-11,16H,5-9H2,1-4H3,(H2,15,17,18,19)
InChIKeyLNXFUWCJVOXVNF-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.64
Rot. Bonds3

About 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide (PubChem CID 51109242) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide
PubChem CID51109242
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-14(2,3)10-7-5-6-8-11(10)16-9-12(18)17-13(19)15-4/h10-11,16H,5-9H2,1-4H3,(H2,15,17,18,19)
InChIKeyLNXFUWCJVOXVNF-UHFFFAOYSA-N
XLogP1.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide (CID 51109242) is 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CNC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide?
The InChIKey is LNXFUWCJVOXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)10-7-5-6-8-11(10)16-9-12(18)17-13(19)15-4/h10-11,16H,5-9H2,1-4H3,(H2,15,17,18,19).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 269.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 51109242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).