2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide

C22H29N5O5 — CID 27912308

IUPAC2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide
SMILESCCCCn1c(N)c(N(C(=O)COc2ccccc2C(N)=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O5/c1-2-3-12-26-19(23)18(21(30)25-22(26)31)27(14-8-4-5-9-14)17(28)13-32-16-11-7-6-10-15(16)20(24)29/h6-7,10-11,14H,2-5,8-9,12-13,23H2,1H3,(H2,24,29)(H,25,30,31)
InChIKeyAWRHSAVGGXLLRD-UHFFFAOYSA-N
MW443.50 g/mol
LogP1.37
Rot. Bonds9

About 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide

2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide (PubChem CID 27912308) has the molecular formula C22H29N5O5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide
PubChem CID27912308
Molecular FormulaC22H29N5O5
Molecular Weight443.50 g/mol
Exact Mass443.22
IUPAC Name2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide
SMILESCCCCn1c(N)c(N(C(=O)COc2ccccc2C(N)=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O5/c1-2-3-12-26-19(23)18(21(30)25-22(26)31)27(14-8-4-5-9-14)17(28)13-32-16-11-7-6-10-15(16)20(24)29/h6-7,10-11,14H,2-5,8-9,12-13,23H2,1H3,(H2,24,29)(H,25,30,31)
InChIKeyAWRHSAVGGXLLRD-UHFFFAOYSA-N
XLogP1.37
TPSA153.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide (CID 27912308) is 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide is CCCCn1c(N)c(N(C(=O)COc2ccccc2C(N)=O)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide?
The InChIKey is AWRHSAVGGXLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O5/c1-2-3-12-26-19(23)18(21(30)25-22(26)31)27(14-8-4-5-9-14)17(28)13-32-16-11-7-6-10-15(16)20(24)29/h6-7,10-11,14H,2-5,8-9,12-13,23H2,1H3,(H2,24,29)(H,25,30,31).
What are the key properties of 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide?
2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide has a molecular weight of 443.50 g/mol, XLogP of 1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 27912308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).