N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride

C21H28ClN3O3 — CID 120603710

IUPACN-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCN.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-21(2,3)16-9-5-7-11-18(16)27-14-19(25)24-17-10-6-4-8-15(17)20(26)23-13-12-22;/h4-11H,12-14,22H2,1-3H3,(H,23,26)(H,24,25);1H
InChIKeyKGJQUSCYUNCNHD-UHFFFAOYSA-N
MW405.93 g/mol
LogP3.11
Rot. Bonds7

About N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride (PubChem CID 120603710) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
PubChem CID120603710
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC NameN-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCN.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-21(2,3)16-9-5-7-11-18(16)27-14-19(25)24-17-10-6-4-8-15(17)20(26)23-13-12-22;/h4-11H,12-14,22H2,1-3H3,(H,23,26)(H,24,25);1H
InChIKeyKGJQUSCYUNCNHD-UHFFFAOYSA-N
XLogP3.11
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150400
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120604222
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
2-(2-bromophenoxy)-N-(2-tert-butylphenyl)acetamide
CID 31277256
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
N-(2-aminoethyl)-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]benzamide;hydrochloride
CID 120603877
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride (CID 120603710) is N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride is CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride?
The InChIKey is KGJQUSCYUNCNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.ClH/c1-21(2,3)16-9-5-7-11-18(16)27-14-19(25)24-17-10-6-4-8-15(17)20(26)23-13-12-22;/h4-11H,12-14,22H2,1-3H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 120603710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).