(2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide

C16H26N4O3 — CID 146142658

IUPAC(2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide
SMILESCC(C)[C@H](Nc1cc(=O)n(C)c(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H26N4O3/c1-10(2)14(15(22)17-11-7-5-4-6-8-11)18-12-9-13(21)20(3)16(23)19-12/h9-11,14,18H,4-8H2,1-3H3,(H,17,22)(H,19,23)/t14-/m0/s1
InChIKeyXJXPANGERMHJSH-AWEZNQCLSA-N
MW322.41 g/mol
LogP0.96
Rot. Bonds5

About (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide

(2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide (PubChem CID 146142658) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide
PubChem CID146142658
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide
SMILESCC(C)[C@H](Nc1cc(=O)n(C)c(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H26N4O3/c1-10(2)14(15(22)17-11-7-5-4-6-8-11)18-12-9-13(21)20(3)16(23)19-12/h9-11,14,18H,4-8H2,1-3H3,(H,17,22)(H,19,23)/t14-/m0/s1
InChIKeyXJXPANGERMHJSH-AWEZNQCLSA-N
XLogP0.96
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide with MolForge

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Related Compounds

6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 777243
6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 86345957
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496
N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide
CID 60541745
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
(2R)-2-[(6-amino-1-methyl-2-oxoquinolin-4-yl)amino]-N-cyclopentylpropanamide
CID 156571031
4-tert-butyl-N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2094670
2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 41011047
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 66522617
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide?
The IUPAC name of (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide (CID 146142658) is (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide is CC(C)[C@H](Nc1cc(=O)n(C)c(=O)[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide?
The InChIKey is XJXPANGERMHJSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(2)14(15(22)17-11-7-5-4-6-8-11)18-12-9-13(21)20(3)16(23)19-12/h9-11,14,18H,4-8H2,1-3H3,(H,17,22)(H,19,23)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide?
(2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide has a molecular weight of 322.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide is sourced from PubChem (CID 146142658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).