N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C17H24N2O2 — CID 79698757

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C17H24N2O2/c1-16(2)14(18)17(3,4)15(16)19-13(20)10-5-6-11-8-21-9-12(11)7-10/h5-7,14-15H,8-9,18H2,1-4H3,(H,19,20)
InChIKeyFACQZBHRIALQNA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.21
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 79698757) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID79698757
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C17H24N2O2/c1-16(2)14(18)17(3,4)15(16)19-13(20)10-5-6-11-8-21-9-12(11)7-10/h5-7,14-15H,8-9,18H2,1-4H3,(H,19,20)
InChIKeyFACQZBHRIALQNA-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide
CID 107728779
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-indole-5-carboxamide
CID 79698493
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-hydroxy-4-methoxybenzamide
CID 79735299
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
CID 79711984
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
CID 79698755
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-(4-methylpiperidin-3-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55231266
1-(1,3-dihydro-2-benzofuran-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452808
(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea
CID 65216975
N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732271
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103800446

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 79698757) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is FACQZBHRIALQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2)14(18)17(3,4)15(16)19-13(20)10-5-6-11-8-21-9-12(11)7-10/h5-7,14-15H,8-9,18H2,1-4H3,(H,19,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 79698757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).