1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H26N6O2 — CID 55497364

IUPAC1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1=O
InChIInChI=1S/C23H26N6O2/c1-4-15(2)19-10-5-6-11-20(19)29-14-17(13-21(29)30)23(31)24-18-9-7-8-16(12-18)22-25-26-27-28(22)3/h5-12,15,17H,4,13-14H2,1-3H3,(H,24,31)
InChIKeyYLTFUJIBNPPTJZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55497364) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55497364
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1=O
InChIInChI=1S/C23H26N6O2/c1-4-15(2)19-10-5-6-11-20(19)29-14-17(13-21(29)30)23(31)24-18-9-7-8-16(12-18)22-25-26-27-28(22)3/h5-12,15,17H,4,13-14H2,1-3H3,(H,24,31)
InChIKeyYLTFUJIBNPPTJZ-UHFFFAOYSA-N
XLogP3.38
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8891763
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 7998981
(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2458183
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761294
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 24590750
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 98399133

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55497364) is 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCC(C)c1ccccc1N1CC(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1=O.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YLTFUJIBNPPTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-4-15(2)19-10-5-6-11-20(19)29-14-17(13-21(29)30)23(31)24-18-9-7-8-16(12-18)22-25-26-27-28(22)3/h5-12,15,17H,4,13-14H2,1-3H3,(H,24,31).
What are the key properties of 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55497364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).