N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide

C16H24N2O2 — CID 84598905

IUPACN-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
SMILESCc1cccc(NC(=O)CNC(C)C2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-15(10-12)18-16(19)11-17-13(2)14-6-8-20-9-7-14/h3-5,10,13-14,17H,6-9,11H2,1-2H3,(H,18,19)
InChIKeySOGFXBVBARABAX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds5

About N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide

N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide (PubChem CID 84598905) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
PubChem CID84598905
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
SMILESCc1cccc(NC(=O)CNC(C)C2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-15(10-12)18-16(19)11-17-13(2)14-6-8-20-9-7-14/h3-5,10,13-14,17H,6-9,11H2,1-2H3,(H,18,19)
InChIKeySOGFXBVBARABAX-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 81388783
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
CID 114416946
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 104696391

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide (CID 84598905) is N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide is Cc1cccc(NC(=O)CNC(C)C2CCOCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide?
The InChIKey is SOGFXBVBARABAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-3-5-15(10-12)18-16(19)11-17-13(2)14-6-8-20-9-7-14/h3-5,10,13-14,17H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide?
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide is sourced from PubChem (CID 84598905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).