(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

C21H25N5O — CID 31458753

IUPAC(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)n1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H25N5O/c1-5-15(3)18-8-6-7-9-19(18)22-21(27)16(4)26-24-20(23-25-26)17-12-10-14(2)11-13-17/h6-13,15-16H,5H2,1-4H3,(H,22,27)/t15-,16-/m1/s1
InChIKeyPMFVHYAESTVRQU-HZPDHXFCSA-N
MW363.47 g/mol
LogP4.36
Rot. Bonds6

About (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 31458753) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID31458753
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)n1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H25N5O/c1-5-15(3)18-8-6-7-9-19(18)22-21(27)16(4)26-24-20(23-25-26)17-12-10-14(2)11-13-17/h6-13,15-16H,5H2,1-4H3,(H,22,27)/t15-,16-/m1/s1
InChIKeyPMFVHYAESTVRQU-HZPDHXFCSA-N
XLogP4.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 46624217
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
(2R)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 7863407
(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 97059058
N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350235
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9407787
(2R)-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 31395317
1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 108899158
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (CID 31458753) is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)n1nnc(-c2ccc(C)cc2)n1.
What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is PMFVHYAESTVRQU-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H25N5O/c1-5-15(3)18-8-6-7-9-19(18)22-21(27)16(4)26-24-20(23-25-26)17-12-10-14(2)11-13-17/h6-13,15-16H,5H2,1-4H3,(H,22,27)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 363.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 31458753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).