N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide

C25H37N5O5 — CID 24983173

IUPACN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C25H37N5O5/c1-7-19(35-18-11-9-8-10-12-18)24(33)28(6)15-20(31)29(13-16(2)3)21-22(26)30(14-17(4)5)25(34)27-23(21)32/h8-12,16-17,19H,7,13-15,26H2,1-6H3,(H,27,32,34)
InChIKeyOMMMITOBVLETLN-UHFFFAOYSA-N
MW487.60 g/mol
LogP2.08
Rot. Bonds11

About N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide

N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide (PubChem CID 24983173) has the molecular formula C25H37N5O5 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide
PubChem CID24983173
Molecular FormulaC25H37N5O5
Molecular Weight487.60 g/mol
Exact Mass487.28
IUPAC NameN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C25H37N5O5/c1-7-19(35-18-11-9-8-10-12-18)24(33)28(6)15-20(31)29(13-16(2)3)21-22(26)30(14-17(4)5)25(34)27-23(21)32/h8-12,16-17,19H,7,13-15,26H2,1-6H3,(H,27,32,34)
InChIKeyOMMMITOBVLETLN-UHFFFAOYSA-N
XLogP2.08
TPSA130.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide?
The IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide (CID 24983173) is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide.
What is the SMILES notation for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide?
The canonical SMILES for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide?
The InChIKey is OMMMITOBVLETLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O5/c1-7-19(35-18-11-9-8-10-12-18)24(33)28(6)15-20(31)29(13-16(2)3)21-22(26)30(14-17(4)5)25(34)27-23(21)32/h8-12,16-17,19H,7,13-15,26H2,1-6H3,(H,27,32,34).
What are the key properties of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide?
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide has a molecular weight of 487.60 g/mol, XLogP of 2.08, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide is sourced from PubChem (CID 24983173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).