N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C14H21N3O3 — CID 60734726

IUPACN-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NC2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H21N3O3/c1-10-8-17(14(20)16-13(10)19)9-12(18)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyQZLJLJCVZIQLNG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.68
Rot. Bonds3

About N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 60734726) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID60734726
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NC2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H21N3O3/c1-10-8-17(14(20)16-13(10)19)9-12(18)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyQZLJLJCVZIQLNG-UHFFFAOYSA-N
XLogP0.68
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56884269
(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
CID 6723546
N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide
CID 154787984
N-cyclooctyl-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 91639863
N-cyclohexyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 51351835
(1S,3S,4S)-N-(cyclopropylmethyl)-3-hydroxy-4-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 157012689
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 124732047
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91786566
[4-[cyclohexyl-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]carbamoyl]phenyl] acetate
CID 71727330
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 155500686
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 60734726) is N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)NC2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is QZLJLJCVZIQLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-8-17(14(20)16-13(10)19)9-12(18)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,18)(H,16,19,20).
What are the key properties of N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 60734726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).