4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide

C19H18N2O4 — CID 8566320

IUPAC4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H18N2O4/c1-12(17-10-14-4-2-3-5-16(14)25-17)21-18(22)11-24-15-8-6-13(7-9-15)19(20)23/h2-10,12H,11H2,1H3,(H2,20,23)(H,21,22)/t12-/m0/s1
InChIKeyHJALXUYXHVZTCA-LBPRGKRZSA-N
MW338.36 g/mol
LogP2.79
Rot. Bonds6

About 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide

4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 8566320) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
PubChem CID8566320
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H18N2O4/c1-12(17-10-14-4-2-3-5-16(14)25-17)21-18(22)11-24-15-8-6-13(7-9-15)19(20)23/h2-10,12H,11H2,1H3,(H2,20,23)(H,21,22)/t12-/m0/s1
InChIKeyHJALXUYXHVZTCA-LBPRGKRZSA-N
XLogP2.79
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 9013193
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 18268262
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
CID 9366881
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996561
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492350
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55522045
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9365848
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 8578495
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290575

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide (CID 8566320) is 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide is C[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1cc2ccccc2o1.
What is the InChIKey of 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is HJALXUYXHVZTCA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(17-10-14-4-2-3-5-16(14)25-17)21-18(22)11-24-15-8-6-13(7-9-15)19(20)23/h2-10,12H,11H2,1H3,(H2,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide?
4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 338.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 8566320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).