N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide

C14H17NO2 — CID 176931858

IUPACN,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1cccc2cc(C(=O)N(C)C)oc12
InChIInChI=1S/C14H17NO2/c1-9(2)11-7-5-6-10-8-12(17-13(10)11)14(16)15(3)4/h5-9H,1-4H3
InChIKeyPMFMFWIGOKOLBA-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.26
Rot. Bonds2

About N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide

N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 176931858) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID176931858
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1cccc2cc(C(=O)N(C)C)oc12
InChIInChI=1S/C14H17NO2/c1-9(2)11-7-5-6-10-8-12(17-13(10)11)14(16)15(3)4/h5-9H,1-4H3
InChIKeyPMFMFWIGOKOLBA-UHFFFAOYSA-N
XLogP3.26
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 82372668
2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one
CID 65427274
1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
CID 65427273
7-(2-aminopropyl)-N,N-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 140503736
6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
CID 166586500
1-(7-butan-2-yl-1-benzofuran-2-yl)ethanone
CID 14468441
7-propan-2-yl-1-benzofuran-2-carbaldehyde
CID 10750112
3-amino-8-propan-2-ylchromen-2-one
CID 59144751
1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
CID 65440315
7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 38899371
7-(4-hydroxyphenyl)-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
CID 176811835
2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119200468

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide (CID 176931858) is N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)c1cccc2cc(C(=O)N(C)C)oc12.
What is the InChIKey of N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is PMFMFWIGOKOLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)11-7-5-6-10-8-12(17-13(10)11)14(16)15(3)4/h5-9H,1-4H3.
What are the key properties of N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide?
N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176931858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).