3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide

C20H28BrNO3 — CID 134430507

IUPAC3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)C2CC(Oc3cccc(Br)c3)C2)CC1
InChIInChI=1S/C20H28BrNO3/c1-20(2,24)14-6-8-16(9-7-14)22-19(23)13-10-18(11-13)25-17-5-3-4-15(21)12-17/h3-5,12-14,16,18,24H,6-11H2,1-2H3,(H,22,23)
InChIKeySLXAQLGXNGYCKJ-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.05
Rot. Bonds5

About 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide

3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide (PubChem CID 134430507) has the molecular formula C20H28BrNO3 and a molecular weight of 410.35 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
PubChem CID134430507
Molecular FormulaC20H28BrNO3
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)C2CC(Oc3cccc(Br)c3)C2)CC1
InChIInChI=1S/C20H28BrNO3/c1-20(2,24)14-6-8-16(9-7-14)22-19(23)13-10-18(11-13)25-17-5-3-4-15(21)12-17/h3-5,12-14,16,18,24H,6-11H2,1-2H3,(H,22,23)
InChIKeySLXAQLGXNGYCKJ-UHFFFAOYSA-N
XLogP4.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)phenoxy]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 134430562
3-[(5-fluoro-1-benzofuran-7-yl)oxy]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 139369121
1-bromo-3-(3-chlorocyclobutyl)oxybenzene
CID 66343584
3-(3-bromophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane;2,2,2-trifluoroacetic acid
CID 66840236
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
CID 103715349
(1S,5R)-3-(3-bromophenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878515
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
3-(3-bromophenoxy)-N-prop-2-ynylazetidine-1-carboxamide
CID 15053449
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
2-[4-(3-bromophenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977419
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide (CID 134430507) is 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide is CC(C)(O)C1CCC(NC(=O)C2CC(Oc3cccc(Br)c3)C2)CC1.
What is the InChIKey of 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide?
The InChIKey is SLXAQLGXNGYCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrNO3/c1-20(2,24)14-6-8-16(9-7-14)22-19(23)13-10-18(11-13)25-17-5-3-4-15(21)12-17/h3-5,12-14,16,18,24H,6-11H2,1-2H3,(H,22,23).
What are the key properties of 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide?
3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide has a molecular weight of 410.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 134430507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).