4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide

C18H28N2O3 — CID 111596452

IUPAC4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H28N2O3/c1-4-20(14-18(2,3)22)17(21)16-13-19(10-11-23-16)12-15-8-6-5-7-9-15/h5-9,16,22H,4,10-14H2,1-3H3
InChIKeyVUBQMGGVBRAZKY-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.51
Rot. Bonds6

About 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide

4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide (PubChem CID 111596452) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
PubChem CID111596452
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H28N2O3/c1-4-20(14-18(2,3)22)17(21)16-13-19(10-11-23-16)12-15-8-6-5-7-9-15/h5-9,16,22H,4,10-14H2,1-3H3
InChIKeyVUBQMGGVBRAZKY-UHFFFAOYSA-N
XLogP1.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide 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-(4-benzylmorpholin-2-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596023
1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
CID 136512107
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2,2-dimethylpropyl)morpholine-2-carboxamide
CID 16755586
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
(2S)-4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 95862793
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide
CID 136527534
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide
CID 120885712
4-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-octylmorpholine-2-carboxamide
CID 42793551

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide?
The IUPAC name of 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide (CID 111596452) is 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide is CCN(CC(C)(C)O)C(=O)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide?
The InChIKey is VUBQMGGVBRAZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-20(14-18(2,3)22)17(21)16-13-19(10-11-23-16)12-15-8-6-5-7-9-15/h5-9,16,22H,4,10-14H2,1-3H3.
What are the key properties of 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide?
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide is sourced from PubChem (CID 111596452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).