N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide

C17H18N4O2 — CID 759619

IUPACN-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2nn(-c3ccc(OC)cc3)nc2c1
InChIInChI=1S/C17H18N4O2/c1-3-4-17(22)18-12-5-10-15-16(11-12)20-21(19-15)13-6-8-14(23-2)9-7-13/h5-11H,3-4H2,1-2H3,(H,18,22)
InChIKeyNSJWOTURAYVXJE-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide

N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide (PubChem CID 759619) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide
PubChem CID759619
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2nn(-c3ccc(OC)cc3)nc2c1
InChIInChI=1S/C17H18N4O2/c1-3-4-17(22)18-12-5-10-15-16(11-12)20-21(19-15)13-6-8-14(23-2)9-7-13/h5-11H,3-4H2,1-2H3,(H,18,22)
InChIKeyNSJWOTURAYVXJE-UHFFFAOYSA-N
XLogP3.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.17
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)benzotriazol-5-yl]butanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide (CID 759619) is N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide is CCCC(=O)Nc1ccc2nn(-c3ccc(OC)cc3)nc2c1.
What is the InChIKey of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide?
The InChIKey is NSJWOTURAYVXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-4-17(22)18-12-5-10-15-16(11-12)20-21(19-15)13-6-8-14(23-2)9-7-13/h5-11H,3-4H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide?
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide has a molecular weight of 310.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide is sourced from PubChem (CID 759619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).