(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide

C19H21N5O — CID 862515

IUPAC(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)[C@H](Cc1cccc(C)c1)c1nn[nH]n1
InChIInChI=1S/C19H21N5O/c1-3-15-9-4-5-10-17(15)20-19(25)16(18-21-23-24-22-18)12-14-8-6-7-13(2)11-14/h4-11,16H,3,12H2,1-2H3,(H,20,25)(H,21,22,23,24)/t16-/m1/s1
InChIKeyNJQYBAXYISGQLM-MRXNPFEDSA-N
MW335.41 g/mol
LogP3.04
Rot. Bonds6

About (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide

(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 862515) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID862515
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)[C@H](Cc1cccc(C)c1)c1nn[nH]n1
InChIInChI=1S/C19H21N5O/c1-3-15-9-4-5-10-17(15)20-19(25)16(18-21-23-24-22-18)12-14-8-6-7-13(2)11-14/h4-11,16H,3,12H2,1-2H3,(H,20,25)(H,21,22,23,24)/t16-/m1/s1
InChIKeyNJQYBAXYISGQLM-MRXNPFEDSA-N
XLogP3.04
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862517
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862525
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
N-(2-fluorophenyl)-3-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800637
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 23913595
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 862515) is (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is CCc1ccccc1NC(=O)[C@H](Cc1cccc(C)c1)c1nn[nH]n1.
What is the InChIKey of (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is NJQYBAXYISGQLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-15-9-4-5-10-17(15)20-19(25)16(18-21-23-24-22-18)12-14-8-6-7-13(2)11-14/h4-11,16H,3,12H2,1-2H3,(H,20,25)(H,21,22,23,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 862515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).