2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide

C16H24N2O2 — CID 81361124

IUPAC2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
SMILESCc1cccc([C@@H](C)NCC(=O)NC2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)13(2)17-11-16(19)18-15-6-8-20-9-7-15/h3-5,10,13,15,17H,6-9,11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyAYIURGOMVDZWAJ-CYBMUJFWSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds5

About 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide

2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide (PubChem CID 81361124) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
PubChem CID81361124
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
SMILESCc1cccc([C@@H](C)NCC(=O)NC2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)13(2)17-11-16(19)18-15-6-8-20-9-7-15/h3-5,10,13,15,17H,6-9,11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyAYIURGOMVDZWAJ-CYBMUJFWSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63098158
2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 86806189
2-[1-(4-methoxyphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 66244703
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)ethylamino]acetamide
CID 43568283
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-(4-methylphenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367523
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide (CID 81361124) is 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide is Cc1cccc([C@@H](C)NCC(=O)NC2CCOCC2)c1.
What is the InChIKey of 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide?
The InChIKey is AYIURGOMVDZWAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)13(2)17-11-16(19)18-15-6-8-20-9-7-15/h3-5,10,13,15,17H,6-9,11H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide?
2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 81361124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).