N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide

C17H18N4O2 — CID 876205

IUPACN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)CC)cc3n2)cc1
InChIInChI=1S/C17H18N4O2/c1-3-17(22)18-12-5-10-15-16(11-12)20-21(19-15)13-6-8-14(9-7-13)23-4-2/h5-11H,3-4H2,1-2H3,(H,18,22)
InChIKeyGKABIXVMNNDTRR-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide (PubChem CID 876205) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide
PubChem CID876205
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)CC)cc3n2)cc1
InChIInChI=1S/C17H18N4O2/c1-3-17(22)18-12-5-10-15-16(11-12)20-21(19-15)13-6-8-14(9-7-13)23-4-2/h5-11H,3-4H2,1-2H3,(H,18,22)
InChIKeyGKABIXVMNNDTRR-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-ethoxyphenyl)benzotriazol-5-yl]propanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide (CID 876205) is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide is CCOc1ccc(-n2nc3ccc(NC(=O)CC)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide?
The InChIKey is GKABIXVMNNDTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-17(22)18-12-5-10-15-16(11-12)20-21(19-15)13-6-8-14(9-7-13)23-4-2/h5-11H,3-4H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide?
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide 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-ethoxyphenyl)benzotriazol-5-yl]propanamide is sourced from PubChem (CID 876205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).