[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

C15H20BrNO4 — CID 4875746

IUPAC[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
SMILESCC(OC(=O)c1ccc(Br)o1)C(=O)NCC1CCCCC1
InChIInChI=1S/C15H20BrNO4/c1-10(20-15(19)12-7-8-13(16)21-12)14(18)17-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)
InChIKeyYOQPHOAREOQVNC-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.28
Rot. Bonds5

About [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate (PubChem CID 4875746) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
PubChem CID4875746
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
SMILESCC(OC(=O)c1ccc(Br)o1)C(=O)NCC1CCCCC1
InChIInChI=1S/C15H20BrNO4/c1-10(20-15(19)12-7-8-13(16)21-12)14(18)17-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)
InChIKeyYOQPHOAREOQVNC-UHFFFAOYSA-N
XLogP3.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate 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

Furan-2-carboxylic acid 1-cyclopentylcarbamoyl-2-methyl-propyl ester
CID 3220206
Furan-2-carboxylic acid 1-cyclohexylcarbamoyl-2-methyl-propyl ester
CID 654589
[2-(Cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2360500
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 2365597
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2423206
[2-(Cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate
CID 7486753
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 25163151
[2-[Benzyl(methyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2376886
[2-(Cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2381919
5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide
CID 2986276
Furan-2-carboxylic acid 1-cyclopentylcarbamoyl-3-methyl-butyl ester
CID 3220213
Furan-2-carboxylic acid 3-methyl-1-(4-methyl-benzylcarbamoyl)-butyl ester
CID 3227612

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate (CID 4875746) is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate is CC(OC(=O)c1ccc(Br)o1)C(=O)NCC1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The InChIKey is YOQPHOAREOQVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-10(20-15(19)12-7-8-13(16)21-12)14(18)17-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,17,18).
What are the key properties of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate has a molecular weight of 358.23 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 4875746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).