N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide

C17H21NO3 — CID 102866951

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCCO)C2CCC2)oc2ccccc12
InChIInChI=1S/C17H21NO3/c1-12-14-8-2-3-9-15(14)21-16(12)17(20)18(10-5-11-19)13-6-4-7-13/h2-3,8-9,13,19H,4-7,10-11H2,1H3
InChIKeyJXIRGCQHURYHGC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.12
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 102866951) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID102866951
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCCO)C2CCC2)oc2ccccc12
InChIInChI=1S/C17H21NO3/c1-12-14-8-2-3-9-15(14)21-16(12)17(20)18(10-5-11-19)13-6-4-7-13/h2-3,8-9,13,19H,4-7,10-11H2,1H3
InChIKeyJXIRGCQHURYHGC-UHFFFAOYSA-N
XLogP3.12
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119202990
N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide
CID 115776106
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7390201
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 8699681
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide
CID 102866356
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
N-[(3-bromophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 40850732
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
5-bromo-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 55488103
N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 18879923

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide (CID 102866951) is N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(CCCO)C2CCC2)oc2ccccc12.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JXIRGCQHURYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-14-8-2-3-9-15(14)21-16(12)17(20)18(10-5-11-19)13-6-4-7-13/h2-3,8-9,13,19H,4-7,10-11H2,1H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 102866951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).