N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

C12H22N2O2 — CID 71937068

IUPACN-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCC(CC)N(C)C(=O)CNC(=O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-4-10(5-2)14(3)11(15)8-13-12(16)9-6-7-9/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyOVXRKMATNPHMTP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds6

About N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 71937068) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID71937068
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCC(CC)N(C)C(=O)CNC(=O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-4-10(5-2)14(3)11(15)8-13-12(16)9-6-7-9/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyOVXRKMATNPHMTP-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (CID 71937068) is N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is CCC(CC)N(C)C(=O)CNC(=O)C1CC1.
What is the InChIKey of N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is OVXRKMATNPHMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-10(5-2)14(3)11(15)8-13-12(16)9-6-7-9/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71937068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).