2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide

C19H22BrN3O3 — CID 32545659

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H22BrN3O3/c20-15-11-23(18(26)22-17(15)25)12-16(24)21-13-19(9-5-2-6-10-19)14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2,(H,21,24)(H,22,25,26)
InChIKeyHEZNBUHOIKIFSC-UHFFFAOYSA-N
MW420.31 g/mol
LogP2.32
Rot. Bonds5

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide (PubChem CID 32545659) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide
PubChem CID32545659
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H22BrN3O3/c20-15-11-23(18(26)22-17(15)25)12-16(24)21-13-19(9-5-2-6-10-19)14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2,(H,21,24)(H,22,25,26)
InChIKeyHEZNBUHOIKIFSC-UHFFFAOYSA-N
XLogP2.32
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 36598462
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 99803682
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 42408512
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42408672
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908743
2-[(1R,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptan-3-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 124884559
2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288066
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide (CID 32545659) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide is O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide?
The InChIKey is HEZNBUHOIKIFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c20-15-11-23(18(26)22-17(15)25)12-16(24)21-13-19(9-5-2-6-10-19)14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2,(H,21,24)(H,22,25,26).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide has a molecular weight of 420.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 32545659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).