2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide

C19H28N2O4 — CID 96542097

IUPAC2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide
SMILESCC1(C)OC[C@@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)O1
InChIInChI=1S/C19H28N2O4/c1-19(2)24-14-17(25-19)11-20-18(22)10-16-13-21(8-9-23-16)12-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyACEXUVMSXDWHIO-IAGOWNOFSA-N
MW348.44 g/mol
LogP1.55
Rot. Bonds6

About 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide

2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide (PubChem CID 96542097) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide
PubChem CID96542097
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide
SMILESCC1(C)OC[C@@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)O1
InChIInChI=1S/C19H28N2O4/c1-19(2)24-14-17(25-19)11-20-18(22)10-16-13-21(8-9-23-16)12-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyACEXUVMSXDWHIO-IAGOWNOFSA-N
XLogP1.55
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide?
The IUPAC name of 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide (CID 96542097) is 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide is CC1(C)OC[C@@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)O1.
What is the InChIKey of 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide?
The InChIKey is ACEXUVMSXDWHIO-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2)24-14-17(25-19)11-20-18(22)10-16-13-21(8-9-23-16)12-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide?
2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide has a molecular weight of 348.44 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide is sourced from PubChem (CID 96542097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).