2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride

C16H23BrClN3O3 — CID 120783893

IUPAC2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C16H22BrN3O3.ClH/c1-20(16(22)15(18)11-6-8-23-9-7-11)10-14(21)19-13-5-3-2-4-12(13)17;/h2-5,11,15H,6-10,18H2,1H3,(H,19,21);1H
InChIKeyZWGYXEVDKMJNNM-UHFFFAOYSA-N
MW420.74 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120783893) has the molecular formula C16H23BrClN3O3 and a molecular weight of 420.74 g/mol. Its IUPAC name is 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120783893
Molecular FormulaC16H23BrClN3O3
Molecular Weight420.74 g/mol
Exact Mass419.06
IUPAC Name2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C16H22BrN3O3.ClH/c1-20(16(22)15(18)11-6-8-23-9-7-11)10-14(21)19-13-5-3-2-4-12(13)17;/h2-5,11,15H,6-10,18H2,1H3,(H,19,21);1H
InChIKeyZWGYXEVDKMJNNM-UHFFFAOYSA-N
XLogP2.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.74
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783983
2-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783916
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 120787755
2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120794368
2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791947
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787699
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 120793298
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786847
(2S,5R)-5-(aminomethyl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120783891

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride (CID 120783893) is 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride is CN(CC(=O)Nc1ccccc1Br)C(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is ZWGYXEVDKMJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3.ClH/c1-20(16(22)15(18)11-6-8-23-9-7-11)10-14(21)19-13-5-3-2-4-12(13)17;/h2-5,11,15H,6-10,18H2,1H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 420.74 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120783893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).