3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide

C22H26N6O2 — CID 56522069

IUPAC3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide
SMILESCc1ccc(NC(=O)C(NC(=O)CC(C)C)c2ccccc2)cc1-n1nnnc1C
InChIInChI=1S/C22H26N6O2/c1-14(2)12-20(29)24-21(17-8-6-5-7-9-17)22(30)23-18-11-10-15(3)19(13-18)28-16(4)25-26-27-28/h5-11,13-14,21H,12H2,1-4H3,(H,23,30)(H,24,29)
InChIKeyIUDBOJQUVNVGEC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.12
Rot. Bonds7

About 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide

3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide (PubChem CID 56522069) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide
PubChem CID56522069
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide
SMILESCc1ccc(NC(=O)C(NC(=O)CC(C)C)c2ccccc2)cc1-n1nnnc1C
InChIInChI=1S/C22H26N6O2/c1-14(2)12-20(29)24-21(17-8-6-5-7-9-17)22(30)23-18-11-10-15(3)19(13-18)28-16(4)25-26-27-28/h5-11,13-14,21H,12H2,1-4H3,(H,23,30)(H,24,29)
InChIKeyIUDBOJQUVNVGEC-UHFFFAOYSA-N
XLogP3.12
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide with MolForge

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Related Compounds

N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 119419225
1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
CID 136522782
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91795241
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride
CID 119500815
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
3-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]butanamide
CID 56579379
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95320054
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]urea
CID 146076701
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 7877912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide (CID 56522069) is 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide is Cc1ccc(NC(=O)C(NC(=O)CC(C)C)c2ccccc2)cc1-n1nnnc1C.
What is the InChIKey of 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide?
The InChIKey is IUDBOJQUVNVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14(2)12-20(29)24-21(17-8-6-5-7-9-17)22(30)23-18-11-10-15(3)19(13-18)28-16(4)25-26-27-28/h5-11,13-14,21H,12H2,1-4H3,(H,23,30)(H,24,29).
What are the key properties of 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide?
3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide has a molecular weight of 406.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide is sourced from PubChem (CID 56522069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).