3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide

C11H18N2O2 — CID 143100840

IUPAC3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(=O)C(N)CC1CCC1
InChIInChI=1S/C11H18N2O2/c1-2-6-13-11(15)10(14)9(12)7-8-4-3-5-8/h2,8-9H,1,3-7,12H2,(H,13,15)
InChIKeyHTRQAKXBQAHVNI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.38
Rot. Bonds6

About 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide

3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide (PubChem CID 143100840) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide
PubChem CID143100840
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(=O)C(N)CC1CCC1
InChIInChI=1S/C11H18N2O2/c1-2-6-13-11(15)10(14)9(12)7-8-4-3-5-8/h2,8-9H,1,3-7,12H2,(H,13,15)
InChIKeyHTRQAKXBQAHVNI-UHFFFAOYSA-N
XLogP0.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(fluoroamino)-5-methyl-2-oxo-N-prop-2-enylhexanamide
CID 143105678
4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 162559559
3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide
CID 58331760
3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide
CID 58331774
(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide
CID 58363509
3-[(2-Aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide
CID 59009650
4-cyclobutyl-N-cyclopropyl-3-(ethylamino)-2-oxobutanamide
CID 68276825
4-Cyclobutyl-3-(ethylamino)-2-oxobutanamide
CID 68276832
4-Cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide
CID 70287801
4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide
CID 70288467
(1R)-4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]cycloheptane-1-carboxamide
CID 70315582
4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide
CID 70316026

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide?
The IUPAC name of 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide (CID 143100840) is 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide?
The canonical SMILES for 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide is C=CCNC(=O)C(=O)C(N)CC1CCC1.
What is the InChIKey of 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide?
The InChIKey is HTRQAKXBQAHVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-6-13-11(15)10(14)9(12)7-8-4-3-5-8/h2,8-9H,1,3-7,12H2,(H,13,15).
What are the key properties of 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide?
3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide has a molecular weight of 210.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide is sourced from PubChem (CID 143100840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).