2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide

C16H32N2O — CID 43224075

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-6-11-17-15(19)12(2)18-14-10-8-7-9-13(14)16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyVSFSXZUDEDIKJN-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.10
Rot. Bonds5

About 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide

2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide (PubChem CID 43224075) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide
PubChem CID43224075
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-6-11-17-15(19)12(2)18-14-10-8-7-9-13(14)16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyVSFSXZUDEDIKJN-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide (CID 43224075) is 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The InChIKey is VSFSXZUDEDIKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-11-17-15(19)12(2)18-14-10-8-7-9-13(14)16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide?
2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide has a molecular weight of 268.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide is sourced from PubChem (CID 43224075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).