N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide

C17H28N2O2 — CID 119658373

IUPACN-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
SMILESCc1ccc(OCC(=O)N(C)CCC(N)C(C)C)cc1C
InChIInChI=1S/C17H28N2O2/c1-12(2)16(18)8-9-19(5)17(20)11-21-15-7-6-13(3)14(4)10-15/h6-7,10,12,16H,8-9,11,18H2,1-5H3
InChIKeyMHDGYDFYTKHDHO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.51
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide (PubChem CID 119658373) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
PubChem CID119658373
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
SMILESCc1ccc(OCC(=O)N(C)CCC(N)C(C)C)cc1C
InChIInChI=1S/C17H28N2O2/c1-12(2)16(18)8-9-19(5)17(20)11-21-15-7-6-13(3)14(4)10-15/h6-7,10,12,16H,8-9,11,18H2,1-5H3
InChIKeyMHDGYDFYTKHDHO-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide (CID 119658373) is N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide is Cc1ccc(OCC(=O)N(C)CCC(N)C(C)C)cc1C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide?
The InChIKey is MHDGYDFYTKHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)16(18)8-9-19(5)17(20)11-21-15-7-6-13(3)14(4)10-15/h6-7,10,12,16H,8-9,11,18H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 119658373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).