N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

C18H19N5O3 — CID 3170975

IUPACN,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2ccc(OC)cc2)c2nn[nH]n2)cc1
InChIInChI=1S/C18H19N5O3/c1-25-14-7-3-12(4-8-14)11-16(17-20-22-23-21-17)18(24)19-13-5-9-15(26-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyRWBODGQKHJTVNF-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.18
Rot. Bonds7

About N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3170975) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3170975
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2ccc(OC)cc2)c2nn[nH]n2)cc1
InChIInChI=1S/C18H19N5O3/c1-25-14-7-3-12(4-8-14)11-16(17-20-22-23-21-17)18(24)19-13-5-9-15(26-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyRWBODGQKHJTVNF-UHFFFAOYSA-N
XLogP2.18
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3170975) is N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(CC(C(=O)Nc2ccc(OC)cc2)c2nn[nH]n2)cc1.
What is the InChIKey of N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is RWBODGQKHJTVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-14-7-3-12(4-8-14)11-16(17-20-22-23-21-17)18(24)19-13-5-9-15(26-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 353.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3170975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).