2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane

C13H28N2O2 — CID 160730867

IUPAC2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane
SMILESC.CC(=O)N(C)C(C)C(=O)NC(C)CC(C)C
InChIInChI=1S/C12H24N2O2.CH4/c1-8(2)7-9(3)13-12(16)10(4)14(6)11(5)15;/h8-10H,7H2,1-6H3,(H,13,16);1H4
InChIKeyRUHYCGKCPFFDKC-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.04
Rot. Bonds5

About 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane

2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane (PubChem CID 160730867) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane
PubChem CID160730867
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane
SMILESC.CC(=O)N(C)C(C)C(=O)NC(C)CC(C)C
InChIInChI=1S/C12H24N2O2.CH4/c1-8(2)7-9(3)13-12(16)10(4)14(6)11(5)15;/h8-10H,7H2,1-6H3,(H,13,16);1H4
InChIKeyRUHYCGKCPFFDKC-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane (CID 160730867) is 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane is C.CC(=O)N(C)C(C)C(=O)NC(C)CC(C)C.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane?
The InChIKey is RUHYCGKCPFFDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.CH4/c1-8(2)7-9(3)13-12(16)10(4)14(6)11(5)15;/h8-10H,7H2,1-6H3,(H,13,16);1H4.
What are the key properties of 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane?
2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane has a molecular weight of 244.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane is sourced from PubChem (CID 160730867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).