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

C12H15NO4 — CID 65312218

IUPACN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC(CO)CO)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H15NO4/c14-6-10(7-15)13-12(16)9-1-2-11-8(5-9)3-4-17-11/h1-2,5,10,14-15H,3-4,6-7H2,(H,13,16)
InChIKeyLMQXWSGBCQLDTC-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.30
Rot. Bonds4

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

N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 65312218) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID65312218
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC(CO)CO)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H15NO4/c14-6-10(7-15)13-12(16)9-1-2-11-8(5-9)3-4-17-11/h1-2,5,10,14-15H,3-4,6-7H2,(H,13,16)
InChIKeyLMQXWSGBCQLDTC-UHFFFAOYSA-N
XLogP-0.30
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103799428
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
CID 82854914
(2S)-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)pentanedioic acid
CID 61152299
5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
CID 43358654
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106737365
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113344817
N-[(2S)-1-hydroxybutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 93033648
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 65312218) is N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NC(CO)CO)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is LMQXWSGBCQLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-6-10(7-15)13-12(16)9-1-2-11-8(5-9)3-4-17-11/h1-2,5,10,14-15H,3-4,6-7H2,(H,13,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 237.25 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 65312218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).