N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide

C20H21N3O2 — CID 18112943

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H21N3O2/c1-15(17-6-8-18(9-7-17)23-11-10-21-14-23)22-20(24)13-16-4-3-5-19(12-16)25-2/h3-12,14-15H,13H2,1-2H3,(H,22,24)
InChIKeyNEDHZRMFBXMOIS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 18112943) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
PubChem CID18112943
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H21N3O2/c1-15(17-6-8-18(9-7-17)23-11-10-21-14-23)22-20(24)13-16-4-3-5-19(12-16)25-2/h3-12,14-15H,13H2,1-2H3,(H,22,24)
InChIKeyNEDHZRMFBXMOIS-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18112945
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
CID 43003578
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
2-(3-methoxyphenyl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 42997257
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
(3R)-3-(carbamoylamino)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(3-phenoxyphenyl)propanamide
CID 41082969
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 28574947
N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 24980500

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide (CID 18112943) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is NEDHZRMFBXMOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(17-6-8-18(9-7-17)23-11-10-21-14-23)22-20(24)13-16-4-3-5-19(12-16)25-2/h3-12,14-15H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 18112943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).