2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C21H30N4O — CID 109001612

IUPAC2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)N(C)CCc2ccncc2)c(C)c1
InChIInChI=1S/C21H30N4O/c1-5-25(6-2)19-7-8-20(17(3)15-19)23-16-21(26)24(4)14-11-18-9-12-22-13-10-18/h7-10,12-13,15,23H,5-6,11,14,16H2,1-4H3
InChIKeyNMJVJXKSILHXRW-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.35
Rot. Bonds9

About 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 109001612) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID109001612
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)N(C)CCc2ccncc2)c(C)c1
InChIInChI=1S/C21H30N4O/c1-5-25(6-2)19-7-8-20(17(3)15-19)23-16-21(26)24(4)14-11-18-9-12-22-13-10-18/h7-10,12-13,15,23H,5-6,11,14,16H2,1-4H3
InChIKeyNMJVJXKSILHXRW-UHFFFAOYSA-N
XLogP3.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
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

N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026280
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 109001618
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734
2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001538
2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000586
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 109001612) is 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CCN(CC)c1ccc(NCC(=O)N(C)CCc2ccncc2)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is NMJVJXKSILHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-25(6-2)19-7-8-20(17(3)15-19)23-16-21(26)24(4)14-11-18-9-12-22-13-10-18/h7-10,12-13,15,23H,5-6,11,14,16H2,1-4H3.
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 354.50 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 109001612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).