N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide

C24H35N5O4 — CID 55411600

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCCCCn1c(N)c(N(C(=O)CN(C)CCOc2ccccc2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O4/c1-3-4-14-28-22(25)21(23(31)26-24(28)32)29(18-10-8-9-11-18)20(30)17-27(2)15-16-33-19-12-6-5-7-13-19/h5-7,12-13,18H,3-4,8-11,14-17,25H2,1-2H3,(H,26,31,32)
InChIKeyYRKNCENZBNEZRG-UHFFFAOYSA-N
MW457.58 g/mol
LogP2.21
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 55411600) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID55411600
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCCCCn1c(N)c(N(C(=O)CN(C)CCOc2ccccc2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O4/c1-3-4-14-28-22(25)21(23(31)26-24(28)32)29(18-10-8-9-11-18)20(30)17-27(2)15-16-33-19-12-6-5-7-13-19/h5-7,12-13,18H,3-4,8-11,14-17,25H2,1-2H3,(H,26,31,32)
InChIKeyYRKNCENZBNEZRG-UHFFFAOYSA-N
XLogP2.21
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide with MolForge

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8620707
2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide
CID 27912308
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide
CID 8839103
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507607
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-fluorophenoxy)propanamide
CID 30841957
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 8839087
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-phenoxyphenoxy)-N-propylacetamide
CID 16594294
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429458
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-propoxybenzamide
CID 26196356
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(phenoxymethyl)furan-2-carboxamide
CID 16593364

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 55411600) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide is CCCCn1c(N)c(N(C(=O)CN(C)CCOc2ccccc2)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is YRKNCENZBNEZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-3-4-14-28-22(25)21(23(31)26-24(28)32)29(18-10-8-9-11-18)20(30)17-27(2)15-16-33-19-12-6-5-7-13-19/h5-7,12-13,18H,3-4,8-11,14-17,25H2,1-2H3,(H,26,31,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 457.58 g/mol, XLogP of 2.21, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 55411600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).