2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide

C17H30N4O — CID 108994734

IUPAC2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCCN(C)C)c(C)c1
InChIInChI=1S/C17H30N4O/c1-6-21(7-2)15-8-9-16(14(3)12-15)19-13-17(22)18-10-11-20(4)5/h8-9,12,19H,6-7,10-11,13H2,1-5H3,(H,18,22)
InChIKeyHVMLLSJXLPNUII-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.93
Rot. Bonds9

About 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide

2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 108994734) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID108994734
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCCN(C)C)c(C)c1
InChIInChI=1S/C17H30N4O/c1-6-21(7-2)15-8-9-16(14(3)12-15)19-13-17(22)18-10-11-20(4)5/h8-9,12,19H,6-7,10-11,13H2,1-5H3,(H,18,22)
InChIKeyHVMLLSJXLPNUII-UHFFFAOYSA-N
XLogP1.93
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000586
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
CID 108993988
2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide
CID 108997011
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 108994740
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653
2-[4-(diethylamino)-2-methylanilino]ethanol
CID 67897103
N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109031413
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109325003
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide (CID 108994734) is 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide is CCN(CC)c1ccc(NCC(=O)NCCN(C)C)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is HVMLLSJXLPNUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-6-21(7-2)15-8-9-16(14(3)12-15)19-13-17(22)18-10-11-20(4)5/h8-9,12,19H,6-7,10-11,13H2,1-5H3,(H,18,22).
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide?
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 306.45 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 108994734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).