N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide

C25H23N3O5 — CID 136651690

IUPACN-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide
SMILESCc1cc(-c2cc(-c3cccc(OC(C)C(=O)NCc4ccco4)c3)nc(=O)[nH]2)ccc1O
InChIInChI=1S/C25H23N3O5/c1-15-11-18(8-9-23(15)29)22-13-21(27-25(31)28-22)17-5-3-6-19(12-17)33-16(2)24(30)26-14-20-7-4-10-32-20/h3-13,16,29H,14H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeySICGHMMHJKBOTR-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.79
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide

N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide (PubChem CID 136651690) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide
PubChem CID136651690
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide
SMILESCc1cc(-c2cc(-c3cccc(OC(C)C(=O)NCc4ccco4)c3)nc(=O)[nH]2)ccc1O
InChIInChI=1S/C25H23N3O5/c1-15-11-18(8-9-23(15)29)22-13-21(27-25(31)28-22)17-5-3-6-19(12-17)33-16(2)24(30)26-14-20-7-4-10-32-20/h3-13,16,29H,14H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeySICGHMMHJKBOTR-UHFFFAOYSA-N
XLogP3.79
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 135900117
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
CID 7211158
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503670
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
2-[(6-formyl-3-pyridinyl)oxy]-N-(furan-2-ylmethyl)propanamide
CID 79794769
N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 102552868
(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide
CID 8015800
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
CID 121123570

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide (CID 136651690) is N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide is Cc1cc(-c2cc(-c3cccc(OC(C)C(=O)NCc4ccco4)c3)nc(=O)[nH]2)ccc1O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide?
The InChIKey is SICGHMMHJKBOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-15-11-18(8-9-23(15)29)22-13-21(27-25(31)28-22)17-5-3-6-19(12-17)33-16(2)24(30)26-14-20-7-4-10-32-20/h3-13,16,29H,14H2,1-2H3,(H,26,30)(H,27,28,31).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide?
N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide has a molecular weight of 445.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide is sourced from PubChem (CID 136651690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).