N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide

C22H24N2O4 — CID 20926182

IUPACN,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
SMILESCCN(CC)C(=O)c1oc2ccccc2c1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-4-24(5-2)22(26)20-19(17-13-9-10-14-18(17)28-20)23-21(25)15(3)27-16-11-7-6-8-12-16/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyKQBJQRIVUROPTB-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.32
Rot. Bonds7

About N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide

N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide (PubChem CID 20926182) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
PubChem CID20926182
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
SMILESCCN(CC)C(=O)c1oc2ccccc2c1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-4-24(5-2)22(26)20-19(17-13-9-10-14-18(17)28-20)23-21(25)15(3)27-16-11-7-6-8-12-16/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyKQBJQRIVUROPTB-UHFFFAOYSA-N
XLogP4.32
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
CID 41294972
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
CID 51457035
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
3-[(3,5-dimethoxybenzoyl)amino]-N,N-diethyl-1-benzofuran-2-carboxamide
CID 22511094
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848079
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 46281672

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide (CID 20926182) is N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide is CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is KQBJQRIVUROPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-24(5-2)22(26)20-19(17-13-9-10-14-18(17)28-20)23-21(25)15(3)27-16-11-7-6-8-12-16/h6-15H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide?
N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20926182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).