N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C14H21N3O3 — CID 32568404

IUPACN-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESC[C@H]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1
InChIInChI=1S/C14H21N3O3/c1-10-4-3-5-11(8-10)15-12(18)9-17-7-6-13(19)16(2)14(17)20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyPJQAWXDBWQRDLW-QWRGUYRKSA-N
MW279.34 g/mol
LogP0.24
Rot. Bonds3

About N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 32568404) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID32568404
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESC[C@H]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1
InChIInChI=1S/C14H21N3O3/c1-10-4-3-5-11(8-10)15-12(18)9-17-7-6-13(19)16(2)14(17)20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyPJQAWXDBWQRDLW-QWRGUYRKSA-N
XLogP0.24
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119427693
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 71896773
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 39017810
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119491896
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111836
N-cyclohexyl-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624888
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 119574836
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
CID 119574835
1-[2-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124692158
3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 71870607
N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 112550431

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 32568404) is N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is C[C@H]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1.
What is the InChIKey of N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is PJQAWXDBWQRDLW-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-4-3-5-11(8-10)15-12(18)9-17-7-6-13(19)16(2)14(17)20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,18)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 32568404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).