3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide

C19H21N3O2 — CID 91768167

IUPAC3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
SMILESCc1nccn1CCNC(=O)CC(c1ccccc1)c1ccco1
InChIInChI=1S/C19H21N3O2/c1-15-20-9-11-22(15)12-10-21-19(23)14-17(18-8-5-13-24-18)16-6-3-2-4-7-16/h2-9,11,13,17H,10,12,14H2,1H3,(H,21,23)
InChIKeyKHOYQJXHIJGNFZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.12
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide

3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide (PubChem CID 91768167) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
PubChem CID91768167
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
SMILESCc1nccn1CCNC(=O)CC(c1ccccc1)c1ccco1
InChIInChI=1S/C19H21N3O2/c1-15-20-9-11-22(15)12-10-21-19(23)14-17(18-8-5-13-24-18)16-6-3-2-4-7-16/h2-9,11,13,17H,10,12,14H2,1H3,(H,21,23)
InChIKeyKHOYQJXHIJGNFZ-UHFFFAOYSA-N
XLogP3.12
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
CID 111471950
(3S)-3-(4-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-4-pyrrol-1-ylbutanamide
CID 124879790
(3S)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431340
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119130518
3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide
CID 121177290
3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 131922221
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]butanamide;dihydrochloride
CID 119869283
5-[3-(2-methylimidazol-1-yl)propylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 91953270

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide (CID 91768167) is 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide is Cc1nccn1CCNC(=O)CC(c1ccccc1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide?
The InChIKey is KHOYQJXHIJGNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15-20-9-11-22(15)12-10-21-19(23)14-17(18-8-5-13-24-18)16-6-3-2-4-7-16/h2-9,11,13,17H,10,12,14H2,1H3,(H,21,23).
What are the key properties of 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide?
3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 91768167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).