N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide

C11H20N2O2 — CID 71942232

IUPACN-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(C)C(C)NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C11H20N2O2/c1-7(2)8(3)13-10(14)6-12-11(15)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyJWRUNRWIXRKGBM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.67
Rot. Bonds5

About N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 71942232) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID71942232
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(C)C(C)NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C11H20N2O2/c1-7(2)8(3)13-10(14)6-12-11(15)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyJWRUNRWIXRKGBM-UHFFFAOYSA-N
XLogP0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide (CID 71942232) is N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide is CC(C)C(C)NC(=O)CNC(=O)C1CC1.
What is the InChIKey of N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is JWRUNRWIXRKGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)8(3)13-10(14)6-12-11(15)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71942232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).