N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C17H23NO3 — CID 114751443

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NCC3(CCO)CC3)cccc2C1C
InChIInChI=1S/C17H23NO3/c1-11-12(2)21-15-13(11)4-3-5-14(15)16(20)18-10-17(6-7-17)8-9-19/h3-5,11-12,19H,6-10H2,1-2H3,(H,18,20)
InChIKeyBSRIUWQGBPLRTE-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.46
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 114751443) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID114751443
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NCC3(CCO)CC3)cccc2C1C
InChIInChI=1S/C17H23NO3/c1-11-12(2)21-15-13(11)4-3-5-14(15)16(20)18-10-17(6-7-17)8-9-19/h3-5,11-12,19H,6-10H2,1-2H3,(H,18,20)
InChIKeyBSRIUWQGBPLRTE-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43393629
2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18227470
N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 62517882
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
CID 114751509
(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
2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18097983
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 45353889
methyl (2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905951
methyl (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905953
(2S,3S)-N-[(1S)-1-cyclopropylethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 51672674
N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 103877084

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 114751443) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CC1Oc2c(C(=O)NCC3(CCO)CC3)cccc2C1C.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is BSRIUWQGBPLRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-12(2)21-15-13(11)4-3-5-14(15)16(20)18-10-17(6-7-17)8-9-19/h3-5,11-12,19H,6-10H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 114751443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).