N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide

C16H21N3O3 — CID 11558534

IUPACN-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
SMILESCOc1ccc(NC(=O)CCCCn2ccnc2)cc1OC
InChIInChI=1S/C16H21N3O3/c1-21-14-7-6-13(11-15(14)22-2)18-16(20)5-3-4-9-19-10-8-17-12-19/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyDYQJYKLLIYQURX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.71
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide

N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide (PubChem CID 11558534) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
PubChem CID11558534
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
SMILESCOc1ccc(NC(=O)CCCCn2ccnc2)cc1OC
InChIInChI=1S/C16H21N3O3/c1-21-14-7-6-13(11-15(14)22-2)18-16(20)5-3-4-9-19-10-8-17-12-19/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyDYQJYKLLIYQURX-UHFFFAOYSA-N
XLogP2.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide
CID 165177168
(E)-3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 6310678
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
4-imidazol-1-yl-N-(1H-pyrazol-4-yl)butanamide
CID 166195192
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide
CID 127254540
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide (CID 11558534) is N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide is COc1ccc(NC(=O)CCCCn2ccnc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide?
The InChIKey is DYQJYKLLIYQURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-14-7-6-13(11-15(14)22-2)18-16(20)5-3-4-9-19-10-8-17-12-19/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide?
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide has a molecular weight of 303.36 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide is sourced from PubChem (CID 11558534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).