2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide

C17H29N3O — CID 62129619

IUPAC2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ccc(CNCC)c(C)c1
InChIInChI=1S/C17H29N3O/c1-6-10-20(13-17(21)19(4)5)16-9-8-15(12-18-7-2)14(3)11-16/h8-9,11,18H,6-7,10,12-13H2,1-5H3
InChIKeyMYBOTXFUXJXGPZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.41
Rot. Bonds8

About 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide

2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide (PubChem CID 62129619) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
PubChem CID62129619
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ccc(CNCC)c(C)c1
InChIInChI=1S/C17H29N3O/c1-6-10-20(13-17(21)19(4)5)16-9-8-15(12-18-7-2)14(3)11-16/h8-9,11,18H,6-7,10,12-13H2,1-5H3
InChIKeyMYBOTXFUXJXGPZ-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
2-(3-bromo-4-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 107276141
2-(4-carbamothioyl-3-chloro-N-propylanilino)-N,N-dimethylacetamide
CID 62948300
2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 114849652
2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
CID 62134065
2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide
CID 106529174
2-[4-amino-3-(cyanomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 102624101
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide
CID 55183029

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide (CID 62129619) is 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1ccc(CNCC)c(C)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide?
The InChIKey is MYBOTXFUXJXGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-10-20(13-17(21)19(4)5)16-9-8-15(12-18-7-2)14(3)11-16/h8-9,11,18H,6-7,10,12-13H2,1-5H3.
What are the key properties of 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide?
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide has a molecular weight of 291.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide is sourced from PubChem (CID 62129619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).