N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide

C15H15NO4 — CID 71788867

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCC1(O)CCOc2ccccc21)c1ccco1
InChIInChI=1S/C15H15NO4/c17-14(13-6-3-8-19-13)16-10-15(18)7-9-20-12-5-2-1-4-11(12)15/h1-6,8,18H,7,9-10H2,(H,16,17)
InChIKeyLBNIVFXXQSITEI-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.68
Rot. Bonds3

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide (PubChem CID 71788867) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
PubChem CID71788867
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCC1(O)CCOc2ccccc21)c1ccco1
InChIInChI=1S/C15H15NO4/c17-14(13-6-3-8-19-13)16-10-15(18)7-9-20-12-5-2-1-4-11(12)15/h1-6,8,18H,7,9-10H2,(H,16,17)
InChIKeyLBNIVFXXQSITEI-UHFFFAOYSA-N
XLogP1.68
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-benzothiophene-2-carboxamide
CID 100701398
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
CID 134161530
3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
CID 95984813
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
1-(1-adamantyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535988
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 95984909
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide (CID 71788867) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide is O=C(NCC1(O)CCOc2ccccc21)c1ccco1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide?
The InChIKey is LBNIVFXXQSITEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-14(13-6-3-8-19-13)16-10-15(18)7-9-20-12-5-2-1-4-11(12)15/h1-6,8,18H,7,9-10H2,(H,16,17).
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 71788867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).