(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide

C20H23N5O — CID 862525

IUPAC(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCc1cccc(C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)c2nn[nH]n2)c1
InChIInChI=1S/C20H23N5O/c1-13(2)16-7-9-17(10-8-16)21-20(26)18(19-22-24-25-23-19)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12H2,1-3H3,(H,21,26)(H,22,23,24,25)/t18-/m1/s1
InChIKeyJAXLCFQDMYYXNK-GOSISDBHSA-N
MW349.44 g/mol
LogP3.60
Rot. Bonds6

About (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide

(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 862525) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID862525
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCc1cccc(C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)c2nn[nH]n2)c1
InChIInChI=1S/C20H23N5O/c1-13(2)16-7-9-17(10-8-16)21-20(26)18(19-22-24-25-23-19)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12H2,1-3H3,(H,21,26)(H,22,23,24,25)/t18-/m1/s1
InChIKeyJAXLCFQDMYYXNK-GOSISDBHSA-N
XLogP3.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862515
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862517
3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3453758
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
(2R)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174955
(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862574
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 862580
(2S)-3-(3-methylphenyl)-N-(4-methylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119927
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 862525) is (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide is Cc1cccc(C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)c2nn[nH]n2)c1.
What is the InChIKey of (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is JAXLCFQDMYYXNK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(2)16-7-9-17(10-8-16)21-20(26)18(19-22-24-25-23-19)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12H2,1-3H3,(H,21,26)(H,22,23,24,25)/t18-/m1/s1.
What are the key properties of (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 349.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 862525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).