N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C18H20N2O3 — CID 18125009

IUPACN-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESO=C(CN1CC=C(c2ccc(O)cc2)CC1)NCc1ccco1
InChIInChI=1S/C18H20N2O3/c21-16-5-3-14(4-6-16)15-7-9-20(10-8-15)13-18(22)19-12-17-2-1-11-23-17/h1-7,11,21H,8-10,12-13H2,(H,19,22)
InChIKeyHELOUFDOUPDHDA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.39
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 18125009) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID18125009
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESO=C(CN1CC=C(c2ccc(O)cc2)CC1)NCc1ccco1
InChIInChI=1S/C18H20N2O3/c21-16-5-3-14(4-6-16)15-7-9-20(10-8-15)13-18(22)19-12-17-2-1-11-23-17/h1-7,11,21H,8-10,12-13H2,(H,19,22)
InChIKeyHELOUFDOUPDHDA-UHFFFAOYSA-N
XLogP2.39
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methylphenyl)acetamide
CID 18125015
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125160
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 18125009) is N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is O=C(CN1CC=C(c2ccc(O)cc2)CC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is HELOUFDOUPDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-5-3-14(4-6-16)15-7-9-20(10-8-15)13-18(22)19-12-17-2-1-11-23-17/h1-7,11,21H,8-10,12-13H2,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 18125009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).