(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

C27H26N2O4 — CID 147411654

IUPAC(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H26N2O4/c1-32-22-13-11-19(12-14-22)15-26(30)29-24(27(31)28-18-20-7-3-2-4-8-20)17-23-16-21-9-5-6-10-25(21)33-23/h2-14,16,24H,15,17-18H2,1H3,(H,28,31)(H,29,30)/t24-/m0/s1
InChIKeyDQSMIULDMIEKDT-DEOSSOPVSA-N
MW442.52 g/mol
LogP4.03
Rot. Bonds9

About (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (PubChem CID 147411654) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
PubChem CID147411654
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H26N2O4/c1-32-22-13-11-19(12-14-22)15-26(30)29-24(27(31)28-18-20-7-3-2-4-8-20)17-23-16-21-9-5-6-10-25(21)33-23/h2-14,16,24H,15,17-18H2,1H3,(H,28,31)(H,29,30)/t24-/m0/s1
InChIKeyDQSMIULDMIEKDT-DEOSSOPVSA-N
XLogP4.03
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide with MolForge

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Related Compounds

(2R)-3-(1,3-benzodioxol-5-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 72714681
N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 123411994
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193774
1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121020618
N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 163331694
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
methyl (2S)-2-(1-benzofuran-2-carbonylamino)-3-(4-methoxyphenyl)propanoate
CID 86655478
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573132
benzyl N-[2-[[(2R)-1-[(4-methoxyphenyl)methylamino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate
CID 102323425

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The IUPAC name of (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (CID 147411654) is (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is COc1ccc(CC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The InChIKey is DQSMIULDMIEKDT-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-32-22-13-11-19(12-14-22)15-26(30)29-24(27(31)28-18-20-7-3-2-4-8-20)17-23-16-21-9-5-6-10-25(21)33-23/h2-14,16,24H,15,17-18H2,1H3,(H,28,31)(H,29,30)/t24-/m0/s1.
What are the key properties of (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide has a molecular weight of 442.52 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 147411654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).