2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide

C22H28N4O2 — CID 119946943

IUPAC2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1
InChIInChI=1S/C22H28N4O2/c23-20-9-5-4-8-19(20)22(28)25-18-12-10-17(11-13-18)24-21(27)16-26-14-6-2-1-3-7-15-26/h4-5,8-13H,1-3,6-7,14-16,23H2,(H,24,27)(H,25,28)
InChIKeyIXXQMVWTDWAKNG-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.73
Rot. Bonds5

About 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide

2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide (PubChem CID 119946943) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
PubChem CID119946943
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1
InChIInChI=1S/C22H28N4O2/c23-20-9-5-4-8-19(20)22(28)25-18-12-10-17(11-13-18)24-21(27)16-26-14-6-2-1-3-7-15-26/h4-5,8-13H,1-3,6-7,14-16,23H2,(H,24,27)(H,25,28)
InChIKeyIXXQMVWTDWAKNG-UHFFFAOYSA-N
XLogP3.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride
CID 53347149
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-(4-aminophenyl)-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]acetamide;dihydrochloride
CID 119871130
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide
CID 119871125
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
CID 25179288
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide (CID 119946943) is 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide is Nc1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1.
What is the InChIKey of 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is IXXQMVWTDWAKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c23-20-9-5-4-8-19(20)22(28)25-18-12-10-17(11-13-18)24-21(27)16-26-14-6-2-1-3-7-15-26/h4-5,8-13H,1-3,6-7,14-16,23H2,(H,24,27)(H,25,28).
What are the key properties of 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide?
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 119946943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).