ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate

C18H26N2O4 — CID 97260580

IUPACethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCO[C@H](C(C)C)C2)cc1
InChIInChI=1S/C18H26N2O4/c1-4-23-18(22)14-5-7-15(8-6-14)19-17(21)12-20-9-10-24-16(11-20)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyACIFPKMORGNXSO-INIZCTEOSA-N
MW334.42 g/mol
LogP2.16
Rot. Bonds6

About ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate

ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate (PubChem CID 97260580) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate
PubChem CID97260580
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nameethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCO[C@H](C(C)C)C2)cc1
InChIInChI=1S/C18H26N2O4/c1-4-23-18(22)14-5-7-15(8-6-14)19-17(21)12-20-9-10-24-16(11-20)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyACIFPKMORGNXSO-INIZCTEOSA-N
XLogP2.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate 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

ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
CID 18083504
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-bromophenyl)acetamide
CID 81490207
ethyl 4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]benzoate
CID 171701426
ethyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate
CID 6467490
ethyl 4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzoate
CID 110686650
N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 43562692
ethyl 4-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate
CID 8932058
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 81497379
(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
CID 845245
2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate
CID 92858710
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate (CID 97260580) is ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN2CCO[C@H](C(C)C)C2)cc1.
What is the InChIKey of ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate?
The InChIKey is ACIFPKMORGNXSO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-23-18(22)14-5-7-15(8-6-14)19-17(21)12-20-9-10-24-16(11-20)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate?
ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate has a molecular weight of 334.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 97260580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).