N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide

C19H26N4O2 — CID 166215906

IUPACN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
SMILESCc1ncn(-c2ccc(NC(=O)CNC(=O)CCC(C)C)cc2)c1C
InChIInChI=1S/C19H26N4O2/c1-13(2)5-10-18(24)20-11-19(25)22-16-6-8-17(9-7-16)23-12-21-14(3)15(23)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,22,25)
InChIKeyLRPUCZOLYNRTGW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.98
Rot. Bonds7

About N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide

N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide (PubChem CID 166215906) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
PubChem CID166215906
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
SMILESCc1ncn(-c2ccc(NC(=O)CNC(=O)CCC(C)C)cc2)c1C
InChIInChI=1S/C19H26N4O2/c1-13(2)5-10-18(24)20-11-19(25)22-16-6-8-17(9-7-16)23-12-21-14(3)15(23)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,22,25)
InChIKeyLRPUCZOLYNRTGW-UHFFFAOYSA-N
XLogP2.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
CID 166278287
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 166215461
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(methylsulfamoyl)propanamide;2,2,2-trifluoroacetic acid
CID 167745317
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
5-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pentanamide;2,2,2-trifluoroacetic acid
CID 166299142

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide (CID 166215906) is N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide is Cc1ncn(-c2ccc(NC(=O)CNC(=O)CCC(C)C)cc2)c1C.
What is the InChIKey of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide?
The InChIKey is LRPUCZOLYNRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)5-10-18(24)20-11-19(25)22-16-6-8-17(9-7-16)23-12-21-14(3)15(23)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,22,25).
What are the key properties of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide?
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide has a molecular weight of 342.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 166215906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).