N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide

C17H29N3O — CID 62124186

IUPACN,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
SMILESCCNCc1ccc(N(C)CC(=O)N(CC)CC)c(C)c1
InChIInChI=1S/C17H29N3O/c1-6-18-12-15-9-10-16(14(4)11-15)19(5)13-17(21)20(7-2)8-3/h9-11,18H,6-8,12-13H2,1-5H3
InChIKeyGNLKHUMTEPSMML-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.41
Rot. Bonds8

About N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide

N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide (PubChem CID 62124186) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
PubChem CID62124186
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
SMILESCCNCc1ccc(N(C)CC(=O)N(CC)CC)c(C)c1
InChIInChI=1S/C17H29N3O/c1-6-18-12-15-9-10-16(14(4)11-15)19(5)13-17(21)20(7-2)8-3/h9-11,18H,6-8,12-13H2,1-5H3
InChIKeyGNLKHUMTEPSMML-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'}

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Related Compounds

N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120859
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
CID 84749434
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(4-methylphenyl)aniline
CID 63551214
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120856

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide (CID 62124186) is N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide is CCNCc1ccc(N(C)CC(=O)N(CC)CC)c(C)c1.
What is the InChIKey of N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide?
The InChIKey is GNLKHUMTEPSMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-18-12-15-9-10-16(14(4)11-15)19(5)13-17(21)20(7-2)8-3/h9-11,18H,6-8,12-13H2,1-5H3.
What are the key properties of N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide?
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide 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 N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide is sourced from PubChem (CID 62124186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).