N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide

C17H20N4O4 — CID 10088859

IUPACN-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide
SMILESCCCCn1c(N)c(NC(C)=O)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C17H20N4O4/c1-3-4-10-20-14(18)13(19-11(2)22)16(24)21(17(20)25)15(23)12-8-6-5-7-9-12/h5-9H,3-4,10,18H2,1-2H3,(H,19,22)
InChIKeyKRZRCFOGRYKYRN-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.04
Rot. Bonds5

About N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide

N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide (PubChem CID 10088859) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide
PubChem CID10088859
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide
SMILESCCCCn1c(N)c(NC(C)=O)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C17H20N4O4/c1-3-4-10-20-14(18)13(19-11(2)22)16(24)21(17(20)25)15(23)12-8-6-5-7-9-12/h5-9H,3-4,10,18H2,1-2H3,(H,19,22)
InChIKeyKRZRCFOGRYKYRN-UHFFFAOYSA-N
XLogP1.04
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione
CID 10266899
N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide
CID 24827795
N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide
CID 94065195
1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
CID 12706858
N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide
CID 171978184
N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide
CID 14326120
3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide
CID 72550231
6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione
CID 79480764
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
hexane;1-phenylethanone
CID 160797049
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516
6-amino-1-butyl-5-(2,2-dimethylbutylamino)-3-methylpyrimidine-2,4-dione
CID 103462651

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide (CID 10088859) is N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide is CCCCn1c(N)c(NC(C)=O)c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide?
The InChIKey is KRZRCFOGRYKYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-3-4-10-20-14(18)13(19-11(2)22)16(24)21(17(20)25)15(23)12-8-6-5-7-9-12/h5-9H,3-4,10,18H2,1-2H3,(H,19,22).
What are the key properties of N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide?
N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide is sourced from PubChem (CID 10088859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).