N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C15H19N3O2 — CID 46528475

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCCC(=O)NC(c1ccc(OC)cc1)c1nccn1C
InChIInChI=1S/C15H19N3O2/c1-4-13(19)17-14(15-16-9-10-18(15)2)11-5-7-12(20-3)8-6-11/h5-10,14H,4H2,1-3H3,(H,17,19)
InChIKeyCEWSFTDSMOWFOS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.04
Rot. Bonds5

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 46528475) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID46528475
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCCC(=O)NC(c1ccc(OC)cc1)c1nccn1C
InChIInChI=1S/C15H19N3O2/c1-4-13(19)17-14(15-16-9-10-18(15)2)11-5-7-12(20-3)8-6-11/h5-10,14H,4H2,1-3H3,(H,17,19)
InChIKeyCEWSFTDSMOWFOS-UHFFFAOYSA-N
XLogP2.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 24535483
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 124818173
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 46528475) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is CCC(=O)NC(c1ccc(OC)cc1)c1nccn1C.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is CEWSFTDSMOWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-13(19)17-14(15-16-9-10-18(15)2)11-5-7-12(20-3)8-6-11/h5-10,14H,4H2,1-3H3,(H,17,19).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 46528475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).