4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide

C20H18N6O3 — CID 8996561

IUPAC4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
SMILESC[C@@H](NC(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1)c1cc2ccccc2o1
InChIInChI=1S/C20H18N6O3/c1-12(17-10-15-4-2-3-5-16(15)29-17)22-18(27)11-26-24-20(23-25-26)14-8-6-13(7-9-14)19(21)28/h2-10,12H,11H2,1H3,(H2,21,28)(H,22,27)/t12-/m1/s1
InChIKeyIGVDSFYNXQHTLZ-GFCCVEGCSA-N
MW390.40 g/mol
LogP2.06
Rot. Bonds6

About 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide

4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide (PubChem CID 8996561) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
PubChem CID8996561
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
SMILESC[C@@H](NC(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1)c1cc2ccccc2o1
InChIInChI=1S/C20H18N6O3/c1-12(17-10-15-4-2-3-5-16(15)29-17)22-18(27)11-26-24-20(23-25-26)14-8-6-13(7-9-14)19(21)28/h2-10,12H,11H2,1H3,(H2,21,28)(H,22,27)/t12-/m1/s1
InChIKeyIGVDSFYNXQHTLZ-GFCCVEGCSA-N
XLogP2.06
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide with MolForge

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Related Compounds

4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
CID 8566320
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 134019422
4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996563
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1465884
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide (CID 8996561) is 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide is C[C@@H](NC(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1)c1cc2ccccc2o1.
What is the InChIKey of 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide?
The InChIKey is IGVDSFYNXQHTLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-12(17-10-15-4-2-3-5-16(15)29-17)22-18(27)11-26-24-20(23-25-26)14-8-6-13(7-9-14)19(21)28/h2-10,12H,11H2,1H3,(H2,21,28)(H,22,27)/t12-/m1/s1.
What are the key properties of 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide?
4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide has a molecular weight of 390.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 8996561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).