2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide

C15H25N3O2 — CID 63070315

IUPAC2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(CNCCOC)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(12-15(19)16-2)14-7-5-13(6-8-14)11-17-9-10-20-3/h5-8,17H,4,9-12H2,1-3H3,(H,16,19)
InChIKeyHJHJFSGEAWFVNH-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.99
Rot. Bonds9

About 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide

2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide (PubChem CID 63070315) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
PubChem CID63070315
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(CNCCOC)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(12-15(19)16-2)14-7-5-13(6-8-14)11-17-9-10-20-3/h5-8,17H,4,9-12H2,1-3H3,(H,16,19)
InChIKeyHJHJFSGEAWFVNH-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.99
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

2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
CID 61449191
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
CID 82714297
2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide
CID 61486228
2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide
CID 63058604
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060813
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
CID 4719418
2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
CID 43398896

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide?
The IUPAC name of 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide (CID 63070315) is 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide?
The canonical SMILES for 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide is CCN(CC(=O)NC)c1ccc(CNCCOC)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide?
The InChIKey is HJHJFSGEAWFVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18(12-15(19)16-2)14-7-5-13(6-8-14)11-17-9-10-20-3/h5-8,17H,4,9-12H2,1-3H3,(H,16,19).
What are the key properties of 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide?
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide has a molecular weight of 279.38 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide is sourced from PubChem (CID 63070315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).