N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide

C11H13N5O2 — CID 5297255

IUPACN-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cnnn2)cc1
InChIInChI=1S/C11H13N5O2/c1-18-10-4-2-9(3-5-10)13-11(17)6-7-16-8-12-14-15-16/h2-5,8H,6-7H2,1H3,(H,13,17)
InChIKeySERDTYOMSIOURU-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.71
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide

N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide (PubChem CID 5297255) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide
PubChem CID5297255
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cnnn2)cc1
InChIInChI=1S/C11H13N5O2/c1-18-10-4-2-9(3-5-10)13-11(17)6-7-16-8-12-14-15-16/h2-5,8H,6-7H2,1H3,(H,13,17)
InChIKeySERDTYOMSIOURU-UHFFFAOYSA-N
XLogP0.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide (CID 5297255) is N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide is COc1ccc(NC(=O)CCn2cnnn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is SERDTYOMSIOURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-18-10-4-2-9(3-5-10)13-11(17)6-7-16-8-12-14-15-16/h2-5,8H,6-7H2,1H3,(H,13,17).
What are the key properties of N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide?
N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 247.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5297255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).