[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate

C18H24BrNO5 — CID 43032148

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
SMILESCOc1cc(Br)c(CC(=O)OC(C)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C18H24BrNO5/c1-11(18(22)20-13-6-4-5-7-13)25-17(21)9-12-8-15(23-2)16(24-3)10-14(12)19/h8,10-11,13H,4-7,9H2,1-3H3,(H,20,22)
InChIKeySLCZABRVPOUJQN-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.00
Rot. Bonds7

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

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate (PubChem CID 43032148) has the molecular formula C18H24BrNO5 and a molecular weight of 414.30 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
PubChem CID43032148
Molecular FormulaC18H24BrNO5
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
SMILESCOc1cc(Br)c(CC(=O)OC(C)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C18H24BrNO5/c1-11(18(22)20-13-6-4-5-7-13)25-17(21)9-12-8-15(23-2)16(24-3)10-14(12)19/h8,10-11,13H,4-7,9H2,1-3H3,(H,20,22)
InChIKeySLCZABRVPOUJQN-UHFFFAOYSA-N
XLogP3.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
CID 9385373
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706439
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667306
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 18286803
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 42900696
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019249
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013712
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251900
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate
CID 55326912
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate (CID 43032148) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate is COc1cc(Br)c(CC(=O)OC(C)C(=O)NC2CCCC2)cc1OC.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The InChIKey is SLCZABRVPOUJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO5/c1-11(18(22)20-13-6-4-5-7-13)25-17(21)9-12-8-15(23-2)16(24-3)10-14(12)19/h8,10-11,13H,4-7,9H2,1-3H3,(H,20,22).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate has a molecular weight of 414.30 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 43032148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).