N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide

C21H25NO3 — CID 60584787

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc3c(cc2OCC)CC(C)O3)cc1
InChIInChI=1S/C21H25NO3/c1-4-6-15-7-9-16(10-8-15)21(23)22-18-13-19-17(11-14(3)25-19)12-20(18)24-5-2/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyKSKOUNKLEABMPU-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.61
Rot. Bonds6

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide (PubChem CID 60584787) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
PubChem CID60584787
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc3c(cc2OCC)CC(C)O3)cc1
InChIInChI=1S/C21H25NO3/c1-4-6-15-7-9-16(10-8-15)21(23)22-18-13-19-17(11-14(3)25-19)12-20(18)24-5-2/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyKSKOUNKLEABMPU-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-nitrobenzamide
CID 9451778
tert-butyl N-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]phenyl]carbamate
CID 55454285
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methoxybenzamide
CID 17417438
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
CID 119697413
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55461951
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid
CID 166295819
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-nitrobenzamide
CID 41156153
4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide
CID 167829951
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide (CID 60584787) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide is CCCc1ccc(C(=O)Nc2cc3c(cc2OCC)CC(C)O3)cc1.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide?
The InChIKey is KSKOUNKLEABMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-6-15-7-9-16(10-8-15)21(23)22-18-13-19-17(11-14(3)25-19)12-20(18)24-5-2/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,23).
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide is sourced from PubChem (CID 60584787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).