7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide

C20H21NO3 — CID 176811835

IUPAC7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1cc(-c2ccc(O)cc2)c2oc(C(=O)N(C)C)cc2c1
InChIInChI=1S/C20H21NO3/c1-12(2)14-9-15-11-18(20(23)21(3)4)24-19(15)17(10-14)13-5-7-16(22)8-6-13/h5-12,22H,1-4H3
InChIKeyUILVXPGIWHWALQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.63
Rot. Bonds3

About 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide

7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 176811835) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID176811835
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1cc(-c2ccc(O)cc2)c2oc(C(=O)N(C)C)cc2c1
InChIInChI=1S/C20H21NO3/c1-12(2)14-9-15-11-18(20(23)21(3)4)24-19(15)17(10-14)13-5-7-16(22)8-6-13/h5-12,22H,1-4H3
InChIKeyUILVXPGIWHWALQ-UHFFFAOYSA-N
XLogP4.63
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide
CID 176931858
N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen
CID 176934009
6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
CID 166586500
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
7-(2-aminopropyl)-N,N-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 140503736
N,N-dimethyl-5-propan-2-yl-1H-indole-7-carboxamide
CID 138530794
2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
CID 65426129
5-chloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913499
(E)-3-[5-[2-hydroxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran-2-yl]but-2-enoic acid
CID 10156519
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide (CID 176811835) is 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)c1cc(-c2ccc(O)cc2)c2oc(C(=O)N(C)C)cc2c1.
What is the InChIKey of 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is UILVXPGIWHWALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12(2)14-9-15-11-18(20(23)21(3)4)24-19(15)17(10-14)13-5-7-16(22)8-6-13/h5-12,22H,1-4H3.
What are the key properties of 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide?
7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176811835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).