N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide

C24H27NO5 — CID 55396325

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC(C)c2cc3cccc(OCC)c3o2)cc1
InChIInChI=1S/C24H27NO5/c1-4-28-19-11-9-17(10-12-19)20(26)13-14-23(27)25-16(3)22-15-18-7-6-8-21(29-5-2)24(18)30-22/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,25,27)
InChIKeyHXTNHFFSPCAABS-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.07
Rot. Bonds10

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 55396325) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID55396325
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC(C)c2cc3cccc(OCC)c3o2)cc1
InChIInChI=1S/C24H27NO5/c1-4-28-19-11-9-17(10-12-19)20(26)13-14-23(27)25-16(3)22-15-18-7-6-8-21(29-5-2)24(18)30-22/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,25,27)
InChIKeyHXTNHFFSPCAABS-UHFFFAOYSA-N
XLogP5.07
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 51214021
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968255
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9477089
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
CID 86831296

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide (CID 55396325) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NC(C)c2cc3cccc(OCC)c3o2)cc1.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is HXTNHFFSPCAABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-4-28-19-11-9-17(10-12-19)20(26)13-14-23(27)25-16(3)22-15-18-7-6-8-21(29-5-2)24(18)30-22/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 409.48 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 55396325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).