N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide

C15H19NO3 — CID 126451194

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCOC1)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H19NO3/c17-15(8-12-3-5-18-10-12)16-9-11-1-2-14-13(7-11)4-6-19-14/h1-2,7,12H,3-6,8-10H2,(H,16,17)/t12-/m0/s1
InChIKeyJYTRIRSIBKSHJW-LBPRGKRZSA-N
MW261.32 g/mol
LogP1.66
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide (PubChem CID 126451194) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
PubChem CID126451194
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCOC1)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H19NO3/c17-15(8-12-3-5-18-10-12)16-9-11-1-2-14-13(7-11)4-6-19-14/h1-2,7,12H,3-6,8-10H2,(H,16,17)/t12-/m0/s1
InChIKeyJYTRIRSIBKSHJW-LBPRGKRZSA-N
XLogP1.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
CID 125153443
2-(oxolan-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 131902739
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185352
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
(E)-4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-oxobut-2-enoic acid
CID 115177230
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide (CID 126451194) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide is O=C(C[C@@H]1CCOC1)NCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide?
The InChIKey is JYTRIRSIBKSHJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(8-12-3-5-18-10-12)16-9-11-1-2-14-13(7-11)4-6-19-14/h1-2,7,12H,3-6,8-10H2,(H,16,17)/t12-/m0/s1.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide is sourced from PubChem (CID 126451194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).