(2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide

C18H19N5O — CID 166388026

IUPAC(2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide
SMILESCc1ccccc1N(Cc1ccccc1)C(=O)[C@H](C)n1cnnn1
InChIInChI=1S/C18H19N5O/c1-14-8-6-7-11-17(14)22(12-16-9-4-3-5-10-16)18(24)15(2)23-13-19-20-21-23/h3-11,13,15H,12H2,1-2H3/t15-/m0/s1
InChIKeyPXWXGCZUPNTFKF-HNNXBMFYSA-N
MW321.38 g/mol
LogP2.78
Rot. Bonds5

About (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide

(2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide (PubChem CID 166388026) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide
PubChem CID166388026
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide
SMILESCc1ccccc1N(Cc1ccccc1)C(=O)[C@H](C)n1cnnn1
InChIInChI=1S/C18H19N5O/c1-14-8-6-7-11-17(14)22(12-16-9-4-3-5-10-16)18(24)15(2)23-13-19-20-21-23/h3-11,13,15H,12H2,1-2H3/t15-/m0/s1
InChIKeyPXWXGCZUPNTFKF-HNNXBMFYSA-N
XLogP2.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
CID 61148945
N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134012748
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 31852023
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 70449024
2-chloro-N-(2-methylphenyl)-N-(1,3,4-thiadiazol-2-ylmethyl)propanamide
CID 70569088
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658
2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509646

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide (CID 166388026) is (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide is Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H](C)n1cnnn1.
What is the InChIKey of (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide?
The InChIKey is PXWXGCZUPNTFKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14-8-6-7-11-17(14)22(12-16-9-4-3-5-10-16)18(24)15(2)23-13-19-20-21-23/h3-11,13,15H,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide?
(2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-(2-methylphenyl)-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 166388026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).