N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide

C22H30N4O2 — CID 108527424

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C22H30N4O2/c1-5-25(6-2)19-8-9-20(17(4)16-19)24-21(27)22(28)26(7-3)15-12-18-10-13-23-14-11-18/h8-11,13-14,16H,5-7,12,15H2,1-4H3,(H,24,27)
InChIKeyCQHHBZZQNUSIGC-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.27
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide

N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108527424) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108527424
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C22H30N4O2/c1-5-25(6-2)19-8-9-20(17(4)16-19)24-21(27)22(28)26(7-3)15-12-18-10-13-23-14-11-18/h8-11,13-14,16H,5-7,12,15H2,1-4H3,(H,24,27)
InChIKeyCQHHBZZQNUSIGC-UHFFFAOYSA-N
XLogP3.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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'-ethyl-N'-(2-pyridin-4-ylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512257
2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001612
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108522052
N-[3,5-bis(trifluoromethyl)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527377

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108527424) is N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide is CCN(CCc1ccncc1)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1C.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is CQHHBZZQNUSIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-25(6-2)19-8-9-20(17(4)16-19)24-21(27)22(28)26(7-3)15-12-18-10-13-23-14-11-18/h8-11,13-14,16H,5-7,12,15H2,1-4H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 382.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108527424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).