(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

C19H21N5O4 — CID 31100872

IUPAC(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](Cc2cc(OC)ccc2OC)c2nn[nH]n2)c1
InChIInChI=1S/C19H21N5O4/c1-26-14-6-4-5-13(11-14)20-19(25)16(18-21-23-24-22-18)10-12-9-15(27-2)7-8-17(12)28-3/h4-9,11,16H,10H2,1-3H3,(H,20,25)(H,21,22,23,24)/t16-/m1/s1
InChIKeyYTYLIYQOJYPVAQ-MRXNPFEDSA-N
MW383.41 g/mol
LogP2.19
Rot. Bonds8

About (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 31100872) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID31100872
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](Cc2cc(OC)ccc2OC)c2nn[nH]n2)c1
InChIInChI=1S/C19H21N5O4/c1-26-14-6-4-5-13(11-14)20-19(25)16(18-21-23-24-22-18)10-12-9-15(27-2)7-8-17(12)28-3/h4-9,11,16H,10H2,1-3H3,(H,20,25)(H,21,22,23,24)/t16-/m1/s1
InChIKeyYTYLIYQOJYPVAQ-MRXNPFEDSA-N
XLogP2.19
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175110
(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175113
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 7289597
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
(2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175088
3-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3881623
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
(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)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 31100872) is (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1cccc(NC(=O)[C@H](Cc2cc(OC)ccc2OC)c2nn[nH]n2)c1.
What is the InChIKey of (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is YTYLIYQOJYPVAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-14-6-4-5-13(11-14)20-19(25)16(18-21-23-24-22-18)10-12-9-15(27-2)7-8-17(12)28-3/h4-9,11,16H,10H2,1-3H3,(H,20,25)(H,21,22,23,24)/t16-/m1/s1.
What are the key properties of (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 383.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 31100872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).