2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone

C17H24N2O2 — CID 124696262

IUPAC2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
SMILESCc1ccccc1[C@H]1CN(C(=O)CC2(N)CCC2)CCO1
InChIInChI=1S/C17H24N2O2/c1-13-5-2-3-6-14(13)15-12-19(9-10-21-15)16(20)11-17(18)7-4-8-17/h2-3,5-6,15H,4,7-12,18H2,1H3/t15-/m1/s1
InChIKeyDNWCLSLPISFVQR-OAHLLOKOSA-N
MW288.39 g/mol
LogP2.17
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone

2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone (PubChem CID 124696262) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
PubChem CID124696262
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
SMILESCc1ccccc1[C@H]1CN(C(=O)CC2(N)CCC2)CCO1
InChIInChI=1S/C17H24N2O2/c1-13-5-2-3-6-14(13)15-12-19(9-10-21-15)16(20)11-17(18)7-4-8-17/h2-3,5-6,15H,4,7-12,18H2,1H3/t15-/m1/s1
InChIKeyDNWCLSLPISFVQR-OAHLLOKOSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 126789841
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364507
(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 124595664
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
[(1R,3S)-3-aminocyclohexyl]-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 125153639
2-(1-aminocyclohexyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 64685311
3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 110364528
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
(2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
CID 99858293

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone (CID 124696262) is 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone is Cc1ccccc1[C@H]1CN(C(=O)CC2(N)CCC2)CCO1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone?
The InChIKey is DNWCLSLPISFVQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-5-2-3-6-14(13)15-12-19(9-10-21-15)16(20)11-17(18)7-4-8-17/h2-3,5-6,15H,4,7-12,18H2,1H3/t15-/m1/s1.
What are the key properties of 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone?
2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 124696262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).