2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C24H36N6O5 — CID 3986132

IUPAC2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCCCN(C(=O)CN(C)CC(=O)Nc1cccc(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N6O5/c1-5-7-12-29(21-22(25)30(13-8-6-2)24(34)27-23(21)33)20(32)16-28(3)15-19(31)26-17-10-9-11-18(14-17)35-4/h9-11,14H,5-8,12-13,15-16,25H2,1-4H3,(H,26,31)(H,27,33,34)
InChIKeyAFQUWJFQTKBMDW-UHFFFAOYSA-N
MW488.59 g/mol
LogP1.63
Rot. Bonds13

About 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 3986132) has the molecular formula C24H36N6O5 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID3986132
Molecular FormulaC24H36N6O5
Molecular Weight488.59 g/mol
Exact Mass488.27
IUPAC Name2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCCCN(C(=O)CN(C)CC(=O)Nc1cccc(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N6O5/c1-5-7-12-29(21-22(25)30(13-8-6-2)24(34)27-23(21)33)20(32)16-28(3)15-19(31)26-17-10-9-11-18(14-17)35-4/h9-11,14H,5-8,12-13,15-16,25H2,1-4H3,(H,26,31)(H,27,33,34)
InChIKeyAFQUWJFQTKBMDW-UHFFFAOYSA-N
XLogP1.63
TPSA142.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 3986132) is 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is CCCCN(C(=O)CN(C)CC(=O)Nc1cccc(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is AFQUWJFQTKBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O5/c1-5-7-12-29(21-22(25)30(13-8-6-2)24(34)27-23(21)33)20(32)16-28(3)15-19(31)26-17-10-9-11-18(14-17)35-4/h9-11,14H,5-8,12-13,15-16,25H2,1-4H3,(H,26,31)(H,27,33,34).
What are the key properties of 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 488.59 g/mol, XLogP of 1.63, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3986132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).