N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide

C21H28N2O2 — CID 10759612

IUPACN-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide
SMILESCCC(C)CCNc1ccccc1OCC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-17(2)14-15-22-19-12-8-9-13-20(19)25-16-21(24)23(3)18-10-6-5-7-11-18/h5-13,17,22H,4,14-16H2,1-3H3
InChIKeyQLDYMWWZMBIJCO-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.58
Rot. Bonds9

About N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide

N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide (PubChem CID 10759612) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide
PubChem CID10759612
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide
SMILESCCC(C)CCNc1ccccc1OCC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-17(2)14-15-22-19-12-8-9-13-20(19)25-16-21(24)23(3)18-10-6-5-7-11-18/h5-13,17,22H,4,14-16H2,1-3H3
InChIKeyQLDYMWWZMBIJCO-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-2-[2-(2-phenylethylamino)phenoxy]acetamide
CID 10522544
N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-ethyl-2-[2-(2-methylprop-2-enoxy)anilino]-N-phenylacetamide
CID 54826257
N-methyl-N-phenyl-2-pyrimidin-2-yloxyacetamide
CID 121086783
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 3738607
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide
CID 3944962
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
N-methyl-2-[2-(oxolan-2-ylmethoxy)anilino]-N-phenylacetamide
CID 54829826
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide (CID 10759612) is N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide is CCC(C)CCNc1ccccc1OCC(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide?
The InChIKey is QLDYMWWZMBIJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-17(2)14-15-22-19-12-8-9-13-20(19)25-16-21(24)23(3)18-10-6-5-7-11-18/h5-13,17,22H,4,14-16H2,1-3H3.
What are the key properties of N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide?
N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide has a molecular weight of 340.47 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methylpentylamino)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 10759612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).