3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide

C14H18N2O2 — CID 115161446

IUPAC3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(N)C1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N2O2/c1-16(14(17)10-6-11(15)7-10)12-2-3-13-9(8-12)4-5-18-13/h2-3,8,10-11H,4-7,15H2,1H3
InChIKeyMDXMBTGRDBXXHX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.32
Rot. Bonds2

About 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide

3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115161446) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
PubChem CID115161446
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(N)C1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N2O2/c1-16(14(17)10-6-11(15)7-10)12-2-3-13-9(8-12)4-5-18-13/h2-3,8,10-11H,4-7,15H2,1H3
InChIKeyMDXMBTGRDBXXHX-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
CID 115161388
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
CID 97226830
N-(3,4-dihydro-2H-chromen-6-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159450
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119728515
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
CID 115171539
3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 115161397

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide (CID 115161446) is 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1CC(N)C1)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is MDXMBTGRDBXXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(14(17)10-6-11(15)7-10)12-2-3-13-9(8-12)4-5-18-13/h2-3,8,10-11H,4-7,15H2,1H3.
What are the key properties of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide?
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115161446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).