4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide

C14H24N2O2 — CID 70288467

IUPAC4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CC1CCC1)C(=O)C(=O)NC1CC1
InChIInChI=1S/C14H24N2O2/c1-9(2)15-12(8-10-4-3-5-10)13(17)14(18)16-11-6-7-11/h9-12,15H,3-8H2,1-2H3,(H,16,18)
InChIKeyPRAHNNIRZGCNIL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.39
Rot. Bonds7

About 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide

4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide (PubChem CID 70288467) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide
PubChem CID70288467
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CC1CCC1)C(=O)C(=O)NC1CC1
InChIInChI=1S/C14H24N2O2/c1-9(2)15-12(8-10-4-3-5-10)13(17)14(18)16-11-6-7-11/h9-12,15H,3-8H2,1-2H3,(H,16,18)
InChIKeyPRAHNNIRZGCNIL-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide?
The IUPAC name of 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide (CID 70288467) is 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide is CC(C)NC(CC1CCC1)C(=O)C(=O)NC1CC1.
What is the InChIKey of 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide?
The InChIKey is PRAHNNIRZGCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)15-12(8-10-4-3-5-10)13(17)14(18)16-11-6-7-11/h9-12,15H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide?
4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-cyclopropyl-2-oxo-3-(propan-2-ylamino)butanamide is sourced from PubChem (CID 70288467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).