N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide

C14H17N3O3 — CID 24761553

IUPACN-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)CCn2ccnc2)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-19-11-3-4-12(13(9-11)20-2)16-14(18)5-7-17-8-6-15-10-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,16,18)
InChIKeyWWAYHMXIQDULQR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.93
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide

N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide (PubChem CID 24761553) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide
PubChem CID24761553
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)CCn2ccnc2)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-19-11-3-4-12(13(9-11)20-2)16-14(18)5-7-17-8-6-15-10-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,16,18)
InChIKeyWWAYHMXIQDULQR-UHFFFAOYSA-N
XLogP1.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide (CID 24761553) is N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide is COc1ccc(NC(=O)CCn2ccnc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide?
The InChIKey is WWAYHMXIQDULQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-11-3-4-12(13(9-11)20-2)16-14(18)5-7-17-8-6-15-10-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,16,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide?
N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide has a molecular weight of 275.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 24761553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).