N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide

C17H18N4O2 — CID 654352

IUPACN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C
InChIInChI=1S/C17H18N4O2/c1-4-17(22)18-14-10-16-15(9-11(14)2)19-21(20-16)12-5-7-13(23-3)8-6-12/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyRMMZDVKPYPICNW-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.09
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide (PubChem CID 654352) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
PubChem CID654352
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C
InChIInChI=1S/C17H18N4O2/c1-4-17(22)18-14-10-16-15(9-11(14)2)19-21(20-16)12-5-7-13(23-3)8-6-12/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyRMMZDVKPYPICNW-UHFFFAOYSA-N
XLogP3.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide (CID 654352) is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide is CCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C.
What is the InChIKey of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The InChIKey is RMMZDVKPYPICNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-17(22)18-14-10-16-15(9-11(14)2)19-21(20-16)12-5-7-13(23-3)8-6-12/h5-10H,4H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide is sourced from PubChem (CID 654352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).