N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide

C16H17NO3 — CID 134852127

IUPACN-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide
SMILESCC(=O)NC1(c2ccccc2)CC2=C(CCCC2=O)O1
InChIInChI=1S/C16H17NO3/c1-11(18)17-16(12-6-3-2-4-7-12)10-13-14(19)8-5-9-15(13)20-16/h2-4,6-7H,5,8-10H2,1H3,(H,17,18)
InChIKeySREHUCFQOIZZFB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.40
Rot. Bonds2

About N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide

N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide (PubChem CID 134852127) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide
PubChem CID134852127
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide
SMILESCC(=O)NC1(c2ccccc2)CC2=C(CCCC2=O)O1
InChIInChI=1S/C16H17NO3/c1-11(18)17-16(12-6-3-2-4-7-12)10-13-14(19)8-5-9-15(13)20-16/h2-4,6-7H,5,8-10H2,1H3,(H,17,18)
InChIKeySREHUCFQOIZZFB-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-Dimethyl-2-trifluoromethyl-2-phenyl-7,8-dihydro-2h-1,3-benzoxazine-4,5(3h,6h)-dione
CID 129742234
2-tert-butyl-7,7-dimethyl-2-phenyl-6,8-dihydro-3H-1,3-benzoxazine-4,5-dione
CID 3670729
tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
CID 134852126
N-(4-benzoyl-2,5-diphenyl-3H-furan-2-yl)acetamide
CID 134852128
methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
CID 164683675
2-Ethyl-6-methyl-2-phenyl-2,3-dihydro-1,3-oxazin-4-one
CID 568975
2-Benzyl-6-methyl-2-phenyl-2,3-dihydro-1,3-oxazin-4-one
CID 569072
6-Methyl-2,2-diphenyl-2,3-dihydro-1,3-oxazin-4-one
CID 602055
N-(2-phenylmethoxypropan-2-yl)benzamide
CID 90976564
(2R)-2-tert-butyl-7,7-dimethyl-2-phenyl-6,8-dihydro-3H-1,3-benzoxazine-4,5-dione
CID 2305538
(2S)-2-tert-butyl-7,7-dimethyl-2-phenyl-6,8-dihydro-3H-1,3-benzoxazine-4,5-dione
CID 2305539
N-tert-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10664528

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide?
The IUPAC name of N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide (CID 134852127) is N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide.
What is the SMILES notation for N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide?
The canonical SMILES for N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide is CC(=O)NC1(c2ccccc2)CC2=C(CCCC2=O)O1.
What is the InChIKey of N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide?
The InChIKey is SREHUCFQOIZZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(18)17-16(12-6-3-2-4-7-12)10-13-14(19)8-5-9-15(13)20-16/h2-4,6-7H,5,8-10H2,1H3,(H,17,18).
What are the key properties of N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide?
N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide is sourced from PubChem (CID 134852127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).