N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

C18H21N3O3 — CID 126820381

IUPACN-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(C2CC2C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C18H21N3O3/c1-10(2)11-3-5-12(6-4-11)14-8-15(14)17(23)19-9-13-7-16(22)21-18(24)20-13/h3-7,10,14-15H,8-9H2,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyJDWKRHUKPUVBOD-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.61
Rot. Bonds5

About N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 126820381) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID126820381
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(C2CC2C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C18H21N3O3/c1-10(2)11-3-5-12(6-4-11)14-8-15(14)17(23)19-9-13-7-16(22)21-18(24)20-13/h3-7,10,14-15H,8-9H2,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyJDWKRHUKPUVBOD-UHFFFAOYSA-N
XLogP1.61
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246168
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119533821
N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-ethylsulfanylcyclohexane-1-carboxamide
CID 166278449
N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120600612
N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474817
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603943
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119572585
2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 126820381) is N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(C)c1ccc(C2CC2C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JDWKRHUKPUVBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-10(2)11-3-5-12(6-4-11)14-8-15(14)17(23)19-9-13-7-16(22)21-18(24)20-13/h3-7,10,14-15H,8-9H2,1-2H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 126820381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).