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

C24H31N5O — CID 7490280

IUPACN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C24H31N5O/c1-16(2)14-19-6-8-21(9-7-19)18(5)25-23(30)15-29-27-24(26-28-29)22-12-10-20(11-13-22)17(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,25,30)/t18-/m1/s1
InChIKeyAHTYJDFDTRGGKU-GOSISDBHSA-N
MW405.55 g/mol
LogP4.54
Rot. Bonds8

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

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7490280) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID7490280
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C24H31N5O/c1-16(2)14-19-6-8-21(9-7-19)18(5)25-23(30)15-29-27-24(26-28-29)22-12-10-20(11-13-22)17(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,25,30)/t18-/m1/s1
InChIKeyAHTYJDFDTRGGKU-GOSISDBHSA-N
XLogP4.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634209
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8642989
N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128343
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1465884
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 78866090
N-(2-methylbutan-2-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8643218
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8681591

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (CID 7490280) is N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is AHTYJDFDTRGGKU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H31N5O/c1-16(2)14-19-6-8-21(9-7-19)18(5)25-23(30)15-29-27-24(26-28-29)22-12-10-20(11-13-22)17(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,25,30)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 405.55 g/mol, XLogP of 4.54, 8 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-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7490280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).