N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide

C21H26N2O3 — CID 39472023

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-9-7-17(8-10-19)13-21(24)22-14-20-16-23(11-12-26-20)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyITLJZJLLBCKQEI-FQEVSTJZSA-N
MW354.45 g/mol
LogP2.25
Rot. Bonds7

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 39472023) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID39472023
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-9-7-17(8-10-19)13-21(24)22-14-20-16-23(11-12-26-20)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyITLJZJLLBCKQEI-FQEVSTJZSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067
2-[4-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24574968
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8504022
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide
CID 78789738
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
CID 24546062
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 39472023) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ITLJZJLLBCKQEI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-9-7-17(8-10-19)13-21(24)22-14-20-16-23(11-12-26-20)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 39472023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).