2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide

C14H19BrN2O3 — CID 9475634

IUPAC2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c1-10(2)16-13(18)8-17(3)14(19)9-20-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,16,18)
InChIKeyXJOJSVQGERILDK-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.81
Rot. Bonds6

About 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 9475634) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID9475634
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c1-10(2)16-13(18)8-17(3)14(19)9-20-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,16,18)
InChIKeyXJOJSVQGERILDK-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-ethoxyphenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475810
2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 8820532
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 9475595
N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 119657814
4-(3-bromophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 9475836
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
(2R)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724639

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide (CID 9475634) is 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is XJOJSVQGERILDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-10(2)16-13(18)8-17(3)14(19)9-20-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 343.22 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9475634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).