N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C16H23NO4 — CID 103877084

IUPACN-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCOCC(O)CCNC(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C16H23NO4/c1-10-11(2)21-15-13(10)5-4-6-14(15)16(19)17-8-7-12(18)9-20-3/h4-6,10-12,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyPFUCGYFFWCWDIH-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.70
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 103877084) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID103877084
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCOCC(O)CCNC(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C16H23NO4/c1-10-11(2)21-15-13(10)5-4-6-14(15)16(19)17-8-7-12(18)9-20-3/h4-6,10-12,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyPFUCGYFFWCWDIH-UHFFFAOYSA-N
XLogP1.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834347
N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 107300275
N-(2-hydroxyethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43393629
methyl (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905953
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 45353889
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18143854
2,3-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 24535734
N-(3-hydroxy-4-methoxybutyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103877542

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 103877084) is N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is COCC(O)CCNC(=O)c1cccc2c1OC(C)C2C.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is PFUCGYFFWCWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-11(2)21-15-13(10)5-4-6-14(15)16(19)17-8-7-12(18)9-20-3/h4-6,10-12,18H,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 103877084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).