[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate

C19H28BrNO5 — CID 18286803

IUPAC[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
SMILESCOc1cc(Br)c(CC(=O)OC(C)C(=O)N(C(C)C)C(C)C)cc1OC
InChIInChI=1S/C19H28BrNO5/c1-11(2)21(12(3)4)19(23)13(5)26-18(22)9-14-8-16(24-6)17(25-7)10-15(14)20/h8,10-13H,9H2,1-7H3
InChIKeyXOUQIVKHAGDMDY-UHFFFAOYSA-N
MW430.34 g/mol
LogP3.59
Rot. Bonds8

About [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate

[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate (PubChem CID 18286803) has the molecular formula C19H28BrNO5 and a molecular weight of 430.34 g/mol. Its IUPAC name is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
PubChem CID18286803
Molecular FormulaC19H28BrNO5
Molecular Weight430.34 g/mol
Exact Mass429.12
IUPAC Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
SMILESCOc1cc(Br)c(CC(=O)OC(C)C(=O)N(C(C)C)C(C)C)cc1OC
InChIInChI=1S/C19H28BrNO5/c1-11(2)21(12(3)4)19(23)13(5)26-18(22)9-14-8-16(24-6)17(25-7)10-15(14)20/h8,10-13H,9H2,1-7H3
InChIKeyXOUQIVKHAGDMDY-UHFFFAOYSA-N
XLogP3.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 43032148
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 55417641
[2-(dimethylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 8921159
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 46624282
[2-(butan-2-ylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 43032140
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
(2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propanoic acid
CID 94212923
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 8921177
ethyl (2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutanoate
CID 134973675
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224154
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039

Frequently Asked Questions

What is the IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate (CID 18286803) is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate.
What is the SMILES notation for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The canonical SMILES for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate is COc1cc(Br)c(CC(=O)OC(C)C(=O)N(C(C)C)C(C)C)cc1OC.
What is the InChIKey of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The InChIKey is XOUQIVKHAGDMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrNO5/c1-11(2)21(12(3)4)19(23)13(5)26-18(22)9-14-8-16(24-6)17(25-7)10-15(14)20/h8,10-13H,9H2,1-7H3.
What are the key properties of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate has a molecular weight of 430.34 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 18286803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).