N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide

C13H24N2O2 — CID 170059665

IUPACN-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide
SMILESCC(C)C(=O)NCCC(C)C(=O)NC1CCC1
InChIInChI=1S/C13H24N2O2/c1-9(2)12(16)14-8-7-10(3)13(17)15-11-5-4-6-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySXHHYOIUNFOCOU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.45
Rot. Bonds6

About N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide

N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide (PubChem CID 170059665) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound NameN-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide
PubChem CID170059665
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide
SMILESCC(C)C(=O)NCCC(C)C(=O)NC1CCC1
InChIInChI=1S/C13H24N2O2/c1-9(2)12(16)14-8-7-10(3)13(17)15-11-5-4-6-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySXHHYOIUNFOCOU-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-cycloheptyl-2-methylpentanamide
CID 4532030
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
N-cyclobutyl-3-(ethylamino)-2-methylpropanamide
CID 62839829
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide
CID 80542023

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide?
The IUPAC name of N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide (CID 170059665) is N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide?
The canonical SMILES for N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide is CC(C)C(=O)NCCC(C)C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide?
The InChIKey is SXHHYOIUNFOCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)12(16)14-8-7-10(3)13(17)15-11-5-4-6-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide?
N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide has a molecular weight of 240.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 170059665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).