2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide

C19H24N2O2 — CID 56549439

IUPAC2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-15(2)13-20-19(22)14-21(3)17-11-7-8-12-18(17)23-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyRSKRNSXIHWLHKT-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.69
Rot. Bonds7

About 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide

2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide (PubChem CID 56549439) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide
PubChem CID56549439
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-15(2)13-20-19(22)14-21(3)17-11-7-8-12-18(17)23-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyRSKRNSXIHWLHKT-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide
CID 108941713
2-(N-acetyl-2-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 113173108
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone
CID 56549650
3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062817
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 96998148
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30271957
2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
CID 104778623
4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide
CID 133202056
2-(2-methoxy-N-methylanilino)-N-phenylacetamide
CID 47280952

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide (CID 56549439) is 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is RSKRNSXIHWLHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(2)13-20-19(22)14-21(3)17-11-7-8-12-18(17)23-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide?
2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 56549439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).