N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide

C29H30N2O5 — CID 42995905

IUPACN-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cc1coc2cc(CC)ccc12
InChIInChI=1S/C29H30N2O5/c1-4-19-12-13-22-21(18-36-25(22)14-19)15-28(32)30-23-16-27(35-6-3)24(17-26(23)34-5-2)31-29(33)20-10-8-7-9-11-20/h7-14,16-18H,4-6,15H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyWUNKVOSEAZPGMP-UHFFFAOYSA-N
MW486.57 g/mol
LogP6.23
Rot. Bonds10

About N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide

N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide (PubChem CID 42995905) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide
PubChem CID42995905
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC NameN-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cc1coc2cc(CC)ccc12
InChIInChI=1S/C29H30N2O5/c1-4-19-12-13-22-21(18-36-25(22)14-19)15-28(32)30-23-16-27(35-6-3)24(17-26(23)34-5-2)31-29(33)20-10-8-7-9-11-20/h7-14,16-18H,4-6,15H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyWUNKVOSEAZPGMP-UHFFFAOYSA-N
XLogP6.23
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 18164667
N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 29457055
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8913304
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N-[4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203093

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide (CID 42995905) is N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cc1coc2cc(CC)ccc12.
What is the InChIKey of N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is WUNKVOSEAZPGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-4-19-12-13-22-21(18-36-25(22)14-19)15-28(32)30-23-16-27(35-6-3)24(17-26(23)34-5-2)31-29(33)20-10-8-7-9-11-20/h7-14,16-18H,4-6,15H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide?
N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 486.57 g/mol, XLogP of 6.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 42995905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).