N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide

C21H25N5O — CID 47085930

IUPACN-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
SMILESCc1ccccc1CC(C)NC(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C21H25N5O/c1-16-9-6-7-12-19(16)15-17(2)22-20(27)13-8-14-26-24-21(23-25-26)18-10-4-3-5-11-18/h3-7,9-12,17H,8,13-15H2,1-2H3,(H,22,27)
InChIKeyKPBWFSISQQRKJZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.18
Rot. Bonds8

About N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide

N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 47085930) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
PubChem CID47085930
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
SMILESCc1ccccc1CC(C)NC(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C21H25N5O/c1-16-9-6-7-12-19(16)15-17(2)22-20(27)13-8-14-26-24-21(23-25-26)18-10-4-3-5-11-18/h3-7,9-12,17H,8,13-15H2,1-2H3,(H,22,27)
InChIKeyKPBWFSISQQRKJZ-UHFFFAOYSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 111484159
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
2-cyano-N-methyl-3-oxo-6-(5-phenyltetrazol-2-yl)hexanamide
CID 56800660
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 99972025
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
4-bromo-N'-[4-(5-phenyltetrazol-2-yl)butanoyl]benzohydrazide
CID 86874442
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 124757424
3-(5-phenyltetrazol-2-yl)propyl 4-methylpentanoate
CID 86902685
4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide (CID 47085930) is N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide is Cc1ccccc1CC(C)NC(=O)CCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is KPBWFSISQQRKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-9-6-7-12-19(16)15-17(2)22-20(27)13-8-14-26-24-21(23-25-26)18-10-4-3-5-11-18/h3-7,9-12,17H,8,13-15H2,1-2H3,(H,22,27).
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide?
N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 363.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 47085930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).