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

C15H25N3O — CID 55040171

IUPAC2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
SMILESCCNCc1ccc(N(CC(N)=O)C(C)C)c(C)c1
InChIInChI=1S/C15H25N3O/c1-5-17-9-13-6-7-14(12(4)8-13)18(11(2)3)10-15(16)19/h6-8,11,17H,5,9-10H2,1-4H3,(H2,16,19)
InChIKeyJQOWEIVJZDAPAY-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.80
Rot. Bonds7

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

2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide (PubChem CID 55040171) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
PubChem CID55040171
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
SMILESCCNCc1ccc(N(CC(N)=O)C(C)C)c(C)c1
InChIInChI=1S/C15H25N3O/c1-5-17-9-13-6-7-14(12(4)8-13)18(11(2)3)10-15(16)19/h6-8,11,17H,5,9-10H2,1-4H3,(H2,16,19)
InChIKeyJQOWEIVJZDAPAY-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(ethylaminomethyl)-2-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-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
CID 62122770
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide
CID 54989235
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide (CID 55040171) is 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide is CCNCc1ccc(N(CC(N)=O)C(C)C)c(C)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide?
The InChIKey is JQOWEIVJZDAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-17-9-13-6-7-14(12(4)8-13)18(11(2)3)10-15(16)19/h6-8,11,17H,5,9-10H2,1-4H3,(H2,16,19).
What are the key properties of 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide?
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 55040171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).