phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate

C16H15NO3 — CID 110787080

IUPACphenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
SMILESO=C(NCc1ccc2c(c1)CCO2)Oc1ccccc1
InChIInChI=1S/C16H15NO3/c18-16(20-14-4-2-1-3-5-14)17-11-12-6-7-15-13(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyMNGYCJPQIIXNKG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.91
Rot. Bonds3

About phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate

phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate (PubChem CID 110787080) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
PubChem CID110787080
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namephenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
SMILESO=C(NCc1ccc2c(c1)CCO2)Oc1ccccc1
InChIInChI=1S/C16H15NO3/c18-16(20-14-4-2-1-3-5-14)17-11-12-6-7-15-13(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyMNGYCJPQIIXNKG-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)carbamate
CID 110780538
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 110787098
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
(E)-4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-oxobut-2-enoic acid
CID 115177230
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine
CID 61038414
phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
CID 110783576
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185352

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate?
The IUPAC name of phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate (CID 110787080) is phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate.
What is the SMILES notation for phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate?
The canonical SMILES for phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate is O=C(NCc1ccc2c(c1)CCO2)Oc1ccccc1.
What is the InChIKey of phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate?
The InChIKey is MNGYCJPQIIXNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-16(20-14-4-2-1-3-5-14)17-11-12-6-7-15-13(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18).
What are the key properties of phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate?
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate is sourced from PubChem (CID 110787080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).