N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C15H22N2O3 — CID 103840148

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1COc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-15(19,10-17(2)3)9-16-14(18)12-8-20-13-7-5-4-6-11(12)13/h4-7,12,19H,8-10H2,1-3H3,(H,16,18)
InChIKeyRBOPUQHJUBVIQT-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.59
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 103840148) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID103840148
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1COc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-15(19,10-17(2)3)9-16-14(18)12-8-20-13-7-5-4-6-11(12)13/h4-7,12,19H,8-10H2,1-3H3,(H,16,18)
InChIKeyRBOPUQHJUBVIQT-UHFFFAOYSA-N
XLogP0.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213485
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 71870034
N-(2-bromo-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107156608
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106148540
(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95625892
(2S)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106148329
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(2-amino-2-hydroxyiminoethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020893
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510
N-(1-amino-2-cyclopropylpropan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 81486749

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 103840148) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CN(C)CC(C)(O)CNC(=O)C1COc2ccccc21.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is RBOPUQHJUBVIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(19,10-17(2)3)9-16-14(18)12-8-20-13-7-5-4-6-11(12)13/h4-7,12,19H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 103840148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).