2-acetamido-N-cyclopropyl-3-methylbutanamide

C10H18N2O2 — CID 4852101

IUPAC2-acetamido-N-cyclopropyl-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC1CC1)C(C)C
InChIInChI=1S/C10H18N2O2/c1-6(2)9(11-7(3)13)10(14)12-8-4-5-8/h6,8-9H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyZARIUTZGFVQHRV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.43
Rot. Bonds4

About 2-acetamido-N-cyclopropyl-3-methylbutanamide

2-acetamido-N-cyclopropyl-3-methylbutanamide (PubChem CID 4852101) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-acetamido-N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-cyclopropyl-3-methylbutanamide
PubChem CID4852101
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-acetamido-N-cyclopropyl-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC1CC1)C(C)C
InChIInChI=1S/C10H18N2O2/c1-6(2)9(11-7(3)13)10(14)12-8-4-5-8/h6,8-9H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyZARIUTZGFVQHRV-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-cyclopropyl-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-cyclopropyl-3-methylbutanamide (CID 4852101) is 2-acetamido-N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-cyclopropyl-3-methylbutanamide is CC(=O)NC(C(=O)NC1CC1)C(C)C.
What is the InChIKey of 2-acetamido-N-cyclopropyl-3-methylbutanamide?
The InChIKey is ZARIUTZGFVQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)9(11-7(3)13)10(14)12-8-4-5-8/h6,8-9H,4-5H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of 2-acetamido-N-cyclopropyl-3-methylbutanamide?
2-acetamido-N-cyclopropyl-3-methylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 4852101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).