2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide

C16H27N3O2 — CID 63072063

IUPAC2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide
SMILESCOCCNCc1ccc(N(CC(N)=O)C(C)C)cc1C
InChIInChI=1S/C16H27N3O2/c1-12(2)19(11-16(17)20)15-6-5-14(13(3)9-15)10-18-7-8-21-4/h5-6,9,12,18H,7-8,10-11H2,1-4H3,(H2,17,20)
InChIKeyWQEVIFRQOBKAQG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.43
Rot. Bonds9

About 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide

2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide (PubChem CID 63072063) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide
PubChem CID63072063
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide
SMILESCOCCNCc1ccc(N(CC(N)=O)C(C)C)cc1C
InChIInChI=1S/C16H27N3O2/c1-12(2)19(11-16(17)20)15-6-5-14(13(3)9-15)10-18-7-8-21-4/h5-6,9,12,18H,7-8,10-11H2,1-4H3,(H2,17,20)
InChIKeyWQEVIFRQOBKAQG-UHFFFAOYSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.43
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'}

Analyze 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)-3-methyl-N-propan-2-ylanilino]acetamide
CID 62130970
2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
CID 63071874
2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide
CID 63058604
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332
4-[(2-methoxyethylamino)methyl]-N,3-dimethyl-N-(2-methylsulfonylethyl)aniline
CID 79843642
N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
CID 62923686
4-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylaniline
CID 82951076
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide (CID 63072063) is 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide is COCCNCc1ccc(N(CC(N)=O)C(C)C)cc1C.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide?
The InChIKey is WQEVIFRQOBKAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19(11-16(17)20)15-6-5-14(13(3)9-15)10-18-7-8-21-4/h5-6,9,12,18H,7-8,10-11H2,1-4H3,(H2,17,20).
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide?
2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.43, 9 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]-3-methyl-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 63072063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).