N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide

C20H23N5O — CID 136579129

IUPACN-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C)c3cccc(C(C)C)c3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-14(2)17-6-5-7-18(12-17)24(4)19(26)13-25-22-20(21-23-25)16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3
InChIKeyKHZYGRSDMOVDOF-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.43
Rot. Bonds5

About N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide

N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 136579129) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID136579129
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C)c3cccc(C(C)C)c3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-14(2)17-6-5-7-18(12-17)24(4)19(26)13-25-22-20(21-23-25)16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3
InChIKeyKHZYGRSDMOVDOF-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9485258
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 7712989
1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465605
(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446231

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 136579129) is N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(C)c3cccc(C(C)C)c3)n2)cc1.
What is the InChIKey of N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is KHZYGRSDMOVDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)17-6-5-7-18(12-17)24(4)19(26)13-25-22-20(21-23-25)16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3.
What are the key properties of N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide?
N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 136579129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).