N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

C18H23N5O4 — CID 598377

IUPACN-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C18H23N5O4/c1-10(2)12(20-15(24)11-8-6-5-7-9-11)16(25)21-13-14(19)22(3)18(27)23(4)17(13)26/h5-10,12H,19H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyFKLATAJHTVDSIS-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.06
Rot. Bonds5

About N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 598377) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID598377
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC NameN-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C18H23N5O4/c1-10(2)12(20-15(24)11-8-6-5-7-9-11)16(25)21-13-14(19)22(3)18(27)23(4)17(13)26/h5-10,12H,19H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyFKLATAJHTVDSIS-UHFFFAOYSA-N
XLogP0.06
TPSA128.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 970702
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CID 54311703
N-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2430671
N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide
CID 20846178
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 598377) is N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)Nc1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is FKLATAJHTVDSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-10(2)12(20-15(24)11-8-6-5-7-9-11)16(25)21-13-14(19)22(3)18(27)23(4)17(13)26/h5-10,12H,19H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 598377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).