2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide

C15H25N3O2 — CID 63058604

IUPAC2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(CNCCOC)c(C)c1
InChIInChI=1S/C15H25N3O2/c1-12-9-14(18(3)11-15(19)16-2)6-5-13(12)10-17-7-8-20-4/h5-6,9,17H,7-8,10-11H2,1-4H3,(H,16,19)
InChIKeyIXCOIASCRNGQFT-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.91
Rot. Bonds8

About 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide

2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide (PubChem CID 63058604) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide
PubChem CID63058604
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(CNCCOC)c(C)c1
InChIInChI=1S/C15H25N3O2/c1-12-9-14(18(3)11-15(19)16-2)6-5-13(12)10-17-7-8-20-4/h5-6,9,17H,7-8,10-11H2,1-4H3,(H,16,19)
InChIKeyIXCOIASCRNGQFT-UHFFFAOYSA-N
XLogP0.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
4-[(2-methoxyethylamino)methyl]-N,3-dimethyl-N-(2-methylsulfonylethyl)aniline
CID 79843642
2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide
CID 63072063
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
4-[(2-methoxyethylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63060974
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
CID 63070315
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
2-[N,3-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-N-propan-2-ylacetamide
CID 62130131
N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine
CID 82731104
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide (CID 63058604) is 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide is CNC(=O)CN(C)c1ccc(CNCCOC)c(C)c1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide?
The InChIKey is IXCOIASCRNGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-9-14(18(3)11-15(19)16-2)6-5-13(12)10-17-7-8-20-4/h5-6,9,17H,7-8,10-11H2,1-4H3,(H,16,19).
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide?
2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide has a molecular weight of 279.38 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide is sourced from PubChem (CID 63058604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).