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

C16H22BrN3O3 — CID 120783894

IUPAC2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H22BrN3O3/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)
InChIKeyKDAHNCCNEXRFKE-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.60
Rot. Bonds5

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

2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide (PubChem CID 120783894) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
PubChem CID120783894
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC Name2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H22BrN3O3/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)
InChIKeyKDAHNCCNEXRFKE-UHFFFAOYSA-N
XLogP1.60
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783893
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-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120794368
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
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-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791947
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 120793298
2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787699
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-propan-2-ylsulfonylpropanamide
CID 55967009
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide (CID 120783894) is 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide is CN(CC(=O)Nc1ccccc1Br)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide?
The InChIKey is KDAHNCCNEXRFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3/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).
What are the key properties of 2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide has a molecular weight of 384.27 g/mol, XLogP of 1.60, 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 is sourced from PubChem (CID 120783894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).