3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide

C18H19N3O2 — CID 35799098

IUPAC3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H19N3O2/c1-14(20-18(22)9-8-17-3-2-12-23-17)15-4-6-16(7-5-15)21-11-10-19-13-21/h2-7,10-14H,8-9H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyQZXMHTDVUDOCSJ-AWEZNQCLSA-N
MW309.37 g/mol
LogP3.28
Rot. Bonds6

About 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide

3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide (PubChem CID 35799098) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
PubChem CID35799098
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H19N3O2/c1-14(20-18(22)9-8-17-3-2-12-23-17)15-4-6-16(7-5-15)21-11-10-19-13-21/h2-7,10-14H,8-9H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyQZXMHTDVUDOCSJ-AWEZNQCLSA-N
XLogP3.28
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 40713174
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 34476835
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 18112952
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 27812555
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 42887582
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 40809462
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide (CID 35799098) is 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide is C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is QZXMHTDVUDOCSJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14(20-18(22)9-8-17-3-2-12-23-17)15-4-6-16(7-5-15)21-11-10-19-13-21/h2-7,10-14H,8-9H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 3.28, 6 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-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 35799098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).