N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide

C14H17N3O2 — CID 115620121

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C14H17N3O2/c1-19-12-4-2-3-11(9-12)10-14(18)17-6-5-13-15-7-8-16-13/h2-4,7-9H,5-6,10H2,1H3,(H,15,16)(H,17,18)
InChIKeyDZVRFORCFRPOHM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 115620121) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
PubChem CID115620121
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C14H17N3O2/c1-19-12-4-2-3-11(9-12)10-14(18)17-6-5-13-15-7-8-16-13/h2-4,7-9H,5-6,10H2,1H3,(H,15,16)(H,17,18)
InChIKeyDZVRFORCFRPOHM-UHFFFAOYSA-N
XLogP1.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 43162782
2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115649653
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-(3-methoxyphenyl)-N-[2-(1,3-oxazol-4-yl)ethyl]acetamide
CID 110722006
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
2-(3-methoxyphenyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110739366
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
N-[3-(1H-imidazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 110726436
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide (CID 115620121) is N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCCc2ncc[nH]2)c1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is DZVRFORCFRPOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-12-4-2-3-11(9-12)10-14(18)17-6-5-13-15-7-8-16-13/h2-4,7-9H,5-6,10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 115620121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).