N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide

C15H19NO3 — CID 19078578

IUPACN-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C=O)O2
InChIInChI=1S/C15H19NO3/c1-8-9(2)14-12(6-15(5,7-17)19-14)10(3)13(8)16-11(4)18/h7H,6H2,1-5H3,(H,16,18)
InChIKeyUDPLDVINZLCKMC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.46
Rot. Bonds2

About N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide

N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide (PubChem CID 19078578) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
PubChem CID19078578
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C=O)O2
InChIInChI=1S/C15H19NO3/c1-8-9(2)14-12(6-15(5,7-17)19-14)10(3)13(8)16-11(4)18/h7H,6H2,1-5H3,(H,16,18)
InChIKeyUDPLDVINZLCKMC-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate
CID 10564490
N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 10728357
5-Formylamino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10752118
5-Acetylamino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10776887
N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide
CID 10849016
5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indol-2-one
CID 22506842
N-(2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
CID 10489832
N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
CID 10489833
2-Bromomethyl-5-formylamino-2,4,6,7-tetramethyl-2,3-dihydrobenzofuran
CID 10495279
N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide
CID 10800504
3,3-dimethyl-N-[3,4,6-trimethyl-7-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]butanamide
CID 11154029
(+)-N-((3R)-3-(4-Isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide
CID 11223126

Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide (CID 19078578) is N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide is CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C=O)O2.
What is the InChIKey of N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The InChIKey is UDPLDVINZLCKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8-9(2)14-12(6-15(5,7-17)19-14)10(3)13(8)16-11(4)18/h7H,6H2,1-5H3,(H,16,18).
What are the key properties of N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 19078578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).