N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide

C14H17N3O — CID 12797181

IUPACN-[4-(2-ethylimidazol-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2ccnc2CC)cc1
InChIInChI=1S/C14H17N3O/c1-3-13-15-9-10-17(13)12-7-5-11(6-8-12)16-14(18)4-2/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeyAKOXNGCTVANCCA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.78
Rot. Bonds4

About N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide

N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide (PubChem CID 12797181) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-ethylimidazol-1-yl)phenyl]propanamide
PubChem CID12797181
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[4-(2-ethylimidazol-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2ccnc2CC)cc1
InChIInChI=1S/C14H17N3O/c1-3-13-15-9-10-17(13)12-7-5-11(6-8-12)16-14(18)4-2/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeyAKOXNGCTVANCCA-UHFFFAOYSA-N
XLogP2.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-ethylimidazol-1-yl)phenyl]-4-methylbenzamide
CID 12797145
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
2-amino-5-(2-ethylimidazol-1-yl)benzoic acid
CID 54979963
3-(2-ethylimidazol-1-yl)-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]propanamide
CID 164642145
N-(4-pyrimidin-2-ylphenyl)propanamide
CID 137348877
N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402347
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956713
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide (CID 12797181) is N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-n2ccnc2CC)cc1.
What is the InChIKey of N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide?
The InChIKey is AKOXNGCTVANCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-13-15-9-10-17(13)12-7-5-11(6-8-12)16-14(18)4-2/h5-10H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide?
N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide has a molecular weight of 243.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 12797181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).