N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide

C14H17NO2 — CID 177170487

IUPACN,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(C)C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C14H17NO2/c1-4-7-15(3)14(16)13-9-11-8-10(2)5-6-12(11)17-13/h5-6,8-9H,4,7H2,1-3H3
InChIKeyRQEKRAMZJPXJMF-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.22
Rot. Bonds3

About N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide

N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 177170487) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
PubChem CID177170487
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(C)C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C14H17NO2/c1-4-7-15(3)14(16)13-9-11-8-10(2)5-6-12(11)17-13/h5-6,8-9H,4,7H2,1-3H3
InChIKeyRQEKRAMZJPXJMF-UHFFFAOYSA-N
XLogP3.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 106607339
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 62627105
1-(5-methyl-1-benzofuran-2-yl)-2-(propylamino)ethanone
CID 114736423
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 76987605
2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 65219540
N-cyclobutyl-N-(2-hydroxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 102684442
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide (CID 177170487) is N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide is CCCN(C)C(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is RQEKRAMZJPXJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-7-15(3)14(16)13-9-11-8-10(2)5-6-12(11)17-13/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide?
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 177170487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).