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

C16H20N4O2 — CID 166215458

IUPACN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C16H20N4O2/c1-4-15(21)17-9-16(22)19-13-5-7-14(8-6-13)20-10-18-11(2)12(20)3/h5-8,10H,4,9H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyLRJLTJQZMNIBSN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.95
Rot. Bonds5

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

N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide (PubChem CID 166215458) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
PubChem CID166215458
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C16H20N4O2/c1-4-15(21)17-9-16(22)19-13-5-7-14(8-6-13)20-10-18-11(2)12(20)3/h5-8,10H,4,9H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyLRJLTJQZMNIBSN-UHFFFAOYSA-N
XLogP1.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
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-(5-methyl-1H-imidazol-2-yl)propanamide
CID 166278287
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
CID 166248907
N-[2-(4-hydroxyanilino)-2-oxoethyl]propanamide
CID 59961348
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383
N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide
CID 166305029

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide (CID 166215458) is N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide?
The InChIKey is LRJLTJQZMNIBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-15(21)17-9-16(22)19-13-5-7-14(8-6-13)20-10-18-11(2)12(20)3/h5-8,10H,4,9H2,1-3H3,(H,17,21)(H,19,22).
What are the key properties of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide?
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide has a molecular weight of 300.36 g/mol, XLogP of 1.95, 5 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]propanamide is sourced from PubChem (CID 166215458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).