N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

C21H25N5O — CID 7634209

IUPACN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H25N5O/c1-15(2)13-17-9-11-18(12-10-17)16(3)22-20(27)14-26-24-21(23-25-26)19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3,(H,22,27)/t16-/m1/s1
InChIKeyBNAJEHHLSZJUFU-MRXNPFEDSA-N
MW363.47 g/mol
LogP3.42
Rot. Bonds7

About N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 7634209) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID7634209
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H25N5O/c1-15(2)13-17-9-11-18(12-10-17)16(3)22-20(27)14-26-24-21(23-25-26)19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3,(H,22,27)/t16-/m1/s1
InChIKeyBNAJEHHLSZJUFU-MRXNPFEDSA-N
XLogP3.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490280
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1465884
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8681591
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128343
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 51883487
N-[1-(4-bromophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46698092
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 7634209) is N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is BNAJEHHLSZJUFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15(2)13-17-9-11-18(12-10-17)16(3)22-20(27)14-26-24-21(23-25-26)19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3,(H,22,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 363.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 7634209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).