tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate

C20H28N2O6 — CID 98010789

IUPACtert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate
SMILESCC(=O)c1cccc(OCC(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C20H28N2O6/c1-14(23)15-6-5-7-16(10-15)27-13-18(24)22-8-9-26-17(12-22)11-21-19(25)28-20(2,3)4/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,21,25)/t17-/m0/s1
InChIKeyREZCALVBIWQPMG-KRWDZBQOSA-N
MW392.45 g/mol
LogP2.02
Rot. Bonds6

About tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate

tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate (PubChem CID 98010789) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate
PubChem CID98010789
Molecular FormulaC20H28N2O6
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Nametert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate
SMILESCC(=O)c1cccc(OCC(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C20H28N2O6/c1-14(23)15-6-5-7-16(10-15)27-13-18(24)22-8-9-26-17(12-22)11-21-19(25)28-20(2,3)4/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,21,25)/t17-/m0/s1
InChIKeyREZCALVBIWQPMG-KRWDZBQOSA-N
XLogP2.02
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 68684608
2-(3-acetylphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119486393
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
tert-butyl N-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]carbamate
CID 163975726
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 143491953
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
CID 143612680
1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-phenoxyethanone
CID 46059870
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate (CID 98010789) is tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate is CC(=O)c1cccc(OCC(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate?
The InChIKey is REZCALVBIWQPMG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O6/c1-14(23)15-6-5-7-16(10-15)27-13-18(24)22-8-9-26-17(12-22)11-21-19(25)28-20(2,3)4/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,21,25)/t17-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate has a molecular weight of 392.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 98010789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).