2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride

C17H29Cl2N3O3 — CID 119890420

IUPAC2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1cc(CN2CCOCC2)ccc1C.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-14-3-4-15(13-20-6-9-23-10-7-20)11-16(14)19-17(21)12-18-5-8-22-2;;/h3-4,11,18H,5-10,12-13H2,1-2H3,(H,19,21);2*1H
InChIKeyMYVCPKJPDKXZPW-UHFFFAOYSA-N
MW394.34 g/mol
LogP1.85
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride (PubChem CID 119890420) has the molecular formula C17H29Cl2N3O3 and a molecular weight of 394.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
PubChem CID119890420
Molecular FormulaC17H29Cl2N3O3
Molecular Weight394.34 g/mol
Exact Mass393.16
IUPAC Name2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1cc(CN2CCOCC2)ccc1C.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-14-3-4-15(13-20-6-9-23-10-7-20)11-16(14)19-17(21)12-18-5-8-22-2;;/h3-4,11,18H,5-10,12-13H2,1-2H3,(H,19,21);2*1H
InChIKeyMYVCPKJPDKXZPW-UHFFFAOYSA-N
XLogP1.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869930
4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119890424
4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
CID 120597087
7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
CID 119890381
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119890419
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide
CID 119711741
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119762977
2-(2-methoxyethylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119836256
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride (CID 119890420) is 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride is COCCNCC(=O)Nc1cc(CN2CCOCC2)ccc1C.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is MYVCPKJPDKXZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.2ClH/c1-14-3-4-15(13-20-6-9-23-10-7-20)11-16(14)19-17(21)12-18-5-8-22-2;;/h3-4,11,18H,5-10,12-13H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119890420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).