1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide

C16H28N2O2 — CID 23555109

IUPAC1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
SMILESCC(C)(C)NC(=O)C(CC1CCC1)C1(C(N)=O)CCC1
InChIInChI=1S/C16H28N2O2/c1-15(2,3)18-13(19)12(10-11-6-4-7-11)16(14(17)20)8-5-9-16/h11-12H,4-10H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyMGVQKHPLTMDUOK-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.36
Rot. Bonds5

About 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide

1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide (PubChem CID 23555109) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
PubChem CID23555109
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
SMILESCC(C)(C)NC(=O)C(CC1CCC1)C1(C(N)=O)CCC1
InChIInChI=1S/C16H28N2O2/c1-15(2,3)18-13(19)12(10-11-6-4-7-11)16(14(17)20)8-5-9-16/h11-12H,4-10H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyMGVQKHPLTMDUOK-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide (CID 23555109) is 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide is CC(C)(C)NC(=O)C(CC1CCC1)C1(C(N)=O)CCC1.
What is the InChIKey of 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide?
The InChIKey is MGVQKHPLTMDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(2,3)18-13(19)12(10-11-6-4-7-11)16(14(17)20)8-5-9-16/h11-12H,4-10H2,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide?
1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 23555109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).