(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide

C20H23N5O — CID 7588870

IUPAC(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2nnn([C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-14(2)16-10-12-17(13-11-16)19-21-23-25(22-19)15(3)20(26)24(4)18-8-6-5-7-9-18/h5-15H,1-4H3/t15-/m0/s1
InChIKeyRMEWXJDYQJVWDA-HNNXBMFYSA-N
MW349.44 g/mol
LogP3.69
Rot. Bonds5

About (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide

(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide (PubChem CID 7588870) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
PubChem CID7588870
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2nnn([C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-14(2)16-10-12-17(13-11-16)19-21-23-25(22-19)15(3)20(26)24(4)18-8-6-5-7-9-18/h5-15H,1-4H3/t15-/m0/s1
InChIKeyRMEWXJDYQJVWDA-HNNXBMFYSA-N
XLogP3.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
CID 38874295
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119657176
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
CID 109399686
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96561738
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]propan-1-one
CID 3188644
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
(2S)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanenitrile
CID 7588894
ethyl 2,4-dimethyl-5-[(2S)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoyl]-1H-pyrrole-3-carboxylate
CID 7489694

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide (CID 7588870) is (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide is CC(C)c1ccc(-c2nnn([C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1.
What is the InChIKey of (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is RMEWXJDYQJVWDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)16-10-12-17(13-11-16)19-21-23-25(22-19)15(3)20(26)24(4)18-8-6-5-7-9-18/h5-15H,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide?
(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 349.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 7588870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).