2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene

C11H26N2O2 — CID 145302110

IUPAC2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene
SMILESC=CC.CC(C=O)NC(=O)C(N)C(C)C.[H][H].[H][H]
InChIInChI=1S/C8H16N2O2.C3H6.2H2/c1-5(2)7(9)8(12)10-6(3)4-11;1-3-2;;/h4-7H,9H2,1-3H3,(H,10,12);3H,1H2,2H3;2*1H
InChIKeyKWFVUCYPOKXPGC-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene

2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene (PubChem CID 145302110) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene
PubChem CID145302110
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene
SMILESC=CC.CC(C=O)NC(=O)C(N)C(C)C.[H][H].[H][H]
InChIInChI=1S/C8H16N2O2.C3H6.2H2/c1-5(2)7(9)8(12)10-6(3)4-11;1-3-2;;/h4-7H,9H2,1-3H3,(H,10,12);3H,1H2,2H3;2*1H
InChIKeyKWFVUCYPOKXPGC-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene?
The IUPAC name of 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene (CID 145302110) is 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene.
What is the SMILES notation for 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene?
The canonical SMILES for 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene is C=CC.CC(C=O)NC(=O)C(N)C(C)C.[H][H].[H][H].
What is the InChIKey of 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene?
The InChIKey is KWFVUCYPOKXPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C3H6.2H2/c1-5(2)7(9)8(12)10-6(3)4-11;1-3-2;;/h4-7H,9H2,1-3H3,(H,10,12);3H,1H2,2H3;2*1H.
What are the key properties of 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene?
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene has a molecular weight of 218.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene is sourced from PubChem (CID 145302110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).