N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride

C13H22ClN3O2 — CID 120704967

IUPACN-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccccc1NCCOC.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-14-10-13(17)16-9-11-5-3-4-6-12(11)15-7-8-18-2;/h3-6,14-15H,7-10H2,1-2H3,(H,16,17);1H
InChIKeyNNNMRQLMGSJREL-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.00
Rot. Bonds8

About N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride

N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120704967) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120704967
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC NameN-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccccc1NCCOC.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-14-10-13(17)16-9-11-5-3-4-6-12(11)15-7-8-18-2;/h3-6,14-15H,7-10H2,1-2H3,(H,16,17);1H
InChIKeyNNNMRQLMGSJREL-UHFFFAOYSA-N
XLogP1.00
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-3,3-dimethylbutan-2-yl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
CID 97068849
1-[(2R)-3,3-dimethylbutan-2-yl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
CID 97068850
4-[[[2-(2-methoxyethylamino)phenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122020245
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
2-(azepan-1-yl)-N-[[2-(2-methoxyethylamino)phenyl]methyl]propanamide
CID 71916980
2-[2-(2-methoxyethyl)anilino]-N-propylacetamide
CID 102847374
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 71968822
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 79282538
tert-butyl N-[2-[2-[(3-methoxypropanoylamino)methyl]anilino]-2-oxoethyl]carbamate
CID 108918087
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride (CID 120704967) is N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCc1ccccc1NCCOC.Cl.
What is the InChIKey of N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is NNNMRQLMGSJREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c1-14-10-13(17)16-9-11-5-3-4-6-12(11)15-7-8-18-2;/h3-6,14-15H,7-10H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120704967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).