N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide

C14H15NO4 — CID 134161530

IUPACN-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCC1(O)CCCc2occc21)c1ccco1
InChIInChI=1S/C14H15NO4/c16-13(12-4-2-7-18-12)15-9-14(17)6-1-3-11-10(14)5-8-19-11/h2,4-5,7-8,17H,1,3,6,9H2,(H,15,16)
InChIKeyFVAMIINZYQVRMC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.83
Rot. Bonds3

About N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide

N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide (PubChem CID 134161530) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
PubChem CID134161530
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC NameN-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCC1(O)CCCc2occc21)c1ccco1
InChIInChI=1S/C14H15NO4/c16-13(12-4-2-7-18-12)15-9-14(17)6-1-3-11-10(14)5-8-19-11/h2,4-5,7-8,17H,1,3,6,9H2,(H,15,16)
InChIKeyFVAMIINZYQVRMC-UHFFFAOYSA-N
XLogP1.83
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]cyclopentanecarboxamide
CID 134160415
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 134160606
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
N-[(1-aminocyclohexyl)methyl]furan-2-carboxamide
CID 119404531
N-[[(4S)-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl]methyl]-2-methylpropane-1-sulfonamide
CID 164637057
4-(3-ethylsulfonylpropyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 113315337
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]furan-2-carboxamide
CID 110443400
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide (CID 134161530) is N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide is O=C(NCC1(O)CCCc2occc21)c1ccco1.
What is the InChIKey of N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide?
The InChIKey is FVAMIINZYQVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-13(12-4-2-7-18-12)15-9-14(17)6-1-3-11-10(14)5-8-19-11/h2,4-5,7-8,17H,1,3,6,9H2,(H,15,16).
What are the key properties of N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide?
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134161530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).