N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide

C24H36N4O4 — CID 26205772

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide
SMILESCCCCCN(C(=O)CCCOc1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N4O4/c1-4-6-8-16-27(20(29)10-9-17-32-19-13-11-18(3)12-14-19)21-22(25)28(15-7-5-2)24(31)26-23(21)30/h11-14H,4-10,15-17,25H2,1-3H3,(H,26,30,31)
InChIKeyCYEFLYYHWDYMSL-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.61
Rot. Bonds13

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide (PubChem CID 26205772) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide
PubChem CID26205772
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide
SMILESCCCCCN(C(=O)CCCOc1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N4O4/c1-4-6-8-16-27(20(29)10-9-17-32-19-13-11-18(3)12-14-19)21-22(25)28(15-7-5-2)24(31)26-23(21)30/h11-14H,4-10,15-17,25H2,1-3H3,(H,26,30,31)
InChIKeyCYEFLYYHWDYMSL-UHFFFAOYSA-N
XLogP3.61
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,4-dimethylphenoxy)-N-pentylpropanamide
CID 55573828
butyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 35539392
(4-methylphenyl)methyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987782
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide
CID 55413717
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylphenoxy)-N-(3-methylbutyl)propanamide
CID 35553555
benzyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987801
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(4-methylphenoxy)acetamide
CID 26211215
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-ethyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507607
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide
CID 30971314
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-phenoxyphenoxy)-N-propylacetamide
CID 16594294

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide (CID 26205772) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide is CCCCCN(C(=O)CCCOc1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide?
The InChIKey is CYEFLYYHWDYMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-4-6-8-16-27(20(29)10-9-17-32-19-13-11-18(3)12-14-19)21-22(25)28(15-7-5-2)24(31)26-23(21)30/h11-14H,4-10,15-17,25H2,1-3H3,(H,26,30,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide has a molecular weight of 444.58 g/mol, XLogP of 3.61, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide is sourced from PubChem (CID 26205772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).