N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

C24H28N2O4 — CID 87005293

IUPACN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)NCc2ccc(OC3CCCC3)nc2)oc2ccccc12
InChIInChI=1S/C24H28N2O4/c1-16(2)28-15-20-19-9-5-6-10-21(19)30-23(20)24(27)26-14-17-11-12-22(25-13-17)29-18-7-3-4-8-18/h5-6,9-13,16,18H,3-4,7-8,14-15H2,1-2H3,(H,26,27)
InChIKeyAHPIQGGXXHIIKQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.00
Rot. Bonds8

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 87005293) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
PubChem CID87005293
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)NCc2ccc(OC3CCCC3)nc2)oc2ccccc12
InChIInChI=1S/C24H28N2O4/c1-16(2)28-15-20-19-9-5-6-10-21(19)30-23(20)24(27)26-14-17-11-12-22(25-13-17)29-18-7-3-4-8-18/h5-6,9-13,16,18H,3-4,7-8,14-15H2,1-2H3,(H,26,27)
InChIKeyAHPIQGGXXHIIKQ-UHFFFAOYSA-N
XLogP5.00
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55800624
N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 111433556
N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 110877068
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86968449
3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 55968094
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86896545
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 78890683
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190094

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 87005293) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is CC(C)OCc1c(C(=O)NCc2ccc(OC3CCCC3)nc2)oc2ccccc12.
What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is AHPIQGGXXHIIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(2)28-15-20-19-9-5-6-10-21(19)30-23(20)24(27)26-14-17-11-12-22(25-13-17)29-18-7-3-4-8-18/h5-6,9-13,16,18H,3-4,7-8,14-15H2,1-2H3,(H,26,27).
What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87005293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).