2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide

C23H28N2O3 — CID 163379677

IUPAC2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCCCC(CNC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12)NC
InChIInChI=1S/C23H28N2O3/c1-4-8-18(24-3)14-25-23(26)22-16(2)28-21-12-11-19(13-20(21)22)27-15-17-9-6-5-7-10-17/h5-7,9-13,18,24H,4,8,14-15H2,1-3H3,(H,25,26)
InChIKeyROJWXQIMDPIYHI-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.44
Rot. Bonds9

About 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide

2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide (PubChem CID 163379677) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
PubChem CID163379677
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCCCC(CNC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12)NC
InChIInChI=1S/C23H28N2O3/c1-4-8-18(24-3)14-25-23(26)22-16(2)28-21-12-11-19(13-20(21)22)27-15-17-9-6-5-7-10-17/h5-7,9-13,18,24H,4,8,14-15H2,1-3H3,(H,25,26)
InChIKeyROJWXQIMDPIYHI-UHFFFAOYSA-N
XLogP4.44
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379668
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379316
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
2-methyl-5-phenylmethoxy-N-pyridazin-3-yl-1-benzofuran-3-carboxamide
CID 163379719
methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate
CID 26841545
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 131920932
N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 8550950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide (CID 163379677) is 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide is CCCC(CNC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12)NC.
What is the InChIKey of 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The InChIKey is ROJWXQIMDPIYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-8-18(24-3)14-25-23(26)22-16(2)28-21-12-11-19(13-20(21)22)27-15-17-9-6-5-7-10-17/h5-7,9-13,18,24H,4,8,14-15H2,1-3H3,(H,25,26).
What are the key properties of 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide?
2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).