N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide

C25H34N2O5 — CID 42862133

IUPACN-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCOCCN(CC1CN(Cc2ccc(OC)c(OC)c2)CCO1)C(=O)Cc1ccccc1
InChIInChI=1S/C25H34N2O5/c1-29-13-12-27(25(28)16-20-7-5-4-6-8-20)19-22-18-26(11-14-32-22)17-21-9-10-23(30-2)24(15-21)31-3/h4-10,15,22H,11-14,16-19H2,1-3H3
InChIKeyFATBLVVEMUXBKT-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.62
Rot. Bonds11

About N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide

N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide (PubChem CID 42862133) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
PubChem CID42862133
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC NameN-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCOCCN(CC1CN(Cc2ccc(OC)c(OC)c2)CCO1)C(=O)Cc1ccccc1
InChIInChI=1S/C25H34N2O5/c1-29-13-12-27(25(28)16-20-7-5-4-6-8-20)19-22-18-26(11-14-32-22)17-21-9-10-23(30-2)24(15-21)31-3/h4-10,15,22H,11-14,16-19H2,1-3H3
InChIKeyFATBLVVEMUXBKT-UHFFFAOYSA-N
XLogP2.62
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42849325
N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 42862506
2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 46041263
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
1-[(2S)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 97199210
4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine
CID 42861424
N-[[4-(furan-3-ylmethyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862046
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 30468311
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate
CID 95769596
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55740410

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The IUPAC name of N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide (CID 42862133) is N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide.
What is the SMILES notation for N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The canonical SMILES for N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide is COCCN(CC1CN(Cc2ccc(OC)c(OC)c2)CCO1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The InChIKey is FATBLVVEMUXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-29-13-12-27(25(28)16-20-7-5-4-6-8-20)19-22-18-26(11-14-32-22)17-21-9-10-23(30-2)24(15-21)31-3/h4-10,15,22H,11-14,16-19H2,1-3H3.
What are the key properties of N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide?
N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide has a molecular weight of 442.56 g/mol, XLogP of 2.62, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide is sourced from PubChem (CID 42862133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).