2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide

C12H24N2O2 — CID 81088861

IUPAC2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide
SMILESCOCC(N)C(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-9-5-4-6-10(7-9)14(2)12(15)11(13)8-16-3/h9-11H,4-8,13H2,1-3H3
InChIKeyQVRZFQBYTRPUJU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide

2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide (PubChem CID 81088861) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide
PubChem CID81088861
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide
SMILESCOCC(N)C(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-9-5-4-6-10(7-9)14(2)12(15)11(13)8-16-3/h9-11H,4-8,13H2,1-3H3
InChIKeyQVRZFQBYTRPUJU-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide (CID 81088861) is 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide is COCC(N)C(=O)N(C)C1CCCC(C)C1.
What is the InChIKey of 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide?
The InChIKey is QVRZFQBYTRPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-5-4-6-10(7-9)14(2)12(15)11(13)8-16-3/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide?
2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide is sourced from PubChem (CID 81088861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).