N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide

C15H19N3O3 — CID 24761554

IUPACN-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide
SMILESCOc1cc(NC(=O)CC(C)n2ccnc2)cc(OC)c1
InChIInChI=1S/C15H19N3O3/c1-11(18-5-4-16-10-18)6-15(19)17-12-7-13(20-2)9-14(8-12)21-3/h4-5,7-11H,6H2,1-3H3,(H,17,19)
InChIKeyHBSYIEOMOIDAQU-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.49
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide

N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide (PubChem CID 24761554) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide
PubChem CID24761554
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide
SMILESCOc1cc(NC(=O)CC(C)n2ccnc2)cc(OC)c1
InChIInChI=1S/C15H19N3O3/c1-11(18-5-4-16-10-18)6-15(19)17-12-7-13(20-2)9-14(8-12)21-3/h4-5,7-11H,6H2,1-3H3,(H,17,19)
InChIKeyHBSYIEOMOIDAQU-UHFFFAOYSA-N
XLogP2.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539192
1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 6539194
1-(3-(1H-Imidazol-1-yl)propyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 6539195
N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
CID 2914863
1-[3-(1H-imidazol-1-yl)propyl]-3-(3-methoxyphenyl)thiourea
CID 2910461
3-(1H-imidazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 24761487
N-(2-ethoxyphenyl)-3-(1H-imidazol-1-yl)propanamide
CID 24761521
N-(2,5-dimethoxyphenyl)-3-(1H-imidazol-1-yl)propanamide
CID 24761548
N-(2,4-dimethoxyphenyl)-3-(1H-imidazol-1-yl)propanamide
CID 24761553
N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline
CID 24947139
2-Cyano(3,4,5-trimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)guanidine
CID 25022552
N-(3-imidazol-1-ylpropyl)-N'-(4-methoxyphenyl)oxamide
CID 2856001

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide (CID 24761554) is N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide is COc1cc(NC(=O)CC(C)n2ccnc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide?
The InChIKey is HBSYIEOMOIDAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(18-5-4-16-10-18)6-15(19)17-12-7-13(20-2)9-14(8-12)21-3/h4-5,7-11H,6H2,1-3H3,(H,17,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide?
N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide has a molecular weight of 289.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-imidazol-1-ylbutanamide is sourced from PubChem (CID 24761554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).