N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide

C20H23N5O — CID 17421387

IUPACN-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C20H23N5O/c26-20(15-25-19-8-4-3-7-18(19)22-23-25)21-16-9-11-17(12-10-16)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,21,26)
InChIKeyALAWWZJHOIDFRR-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.45
Rot. Bonds4

About N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide

N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide (PubChem CID 17421387) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
PubChem CID17421387
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C20H23N5O/c26-20(15-25-19-8-4-3-7-18(19)22-23-25)21-16-9-11-17(12-10-16)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,21,26)
InChIKeyALAWWZJHOIDFRR-UHFFFAOYSA-N
XLogP3.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141698
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9299745
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
CID 134013479
2-(benzotriazol-1-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 17452731
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 23607728
2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 8975880
N-(4-piperidin-1-ylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251160
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide (CID 17421387) is N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide is O=C(Cn1nnc2ccccc21)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide?
The InChIKey is ALAWWZJHOIDFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(15-25-19-8-4-3-7-18(19)22-23-25)21-16-9-11-17(12-10-16)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,21,26).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide?
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide is sourced from PubChem (CID 17421387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).