N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide

C24H34N4O6 — CID 16549931

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCOCCCN(C(=O)c1ccc(OCC2CCCO2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H34N4O6/c1-16(2)14-28-21(25)20(22(29)26-24(28)31)27(11-5-12-32-3)23(30)17-7-9-18(10-8-17)34-15-19-6-4-13-33-19/h7-10,16,19H,4-6,11-15,25H2,1-3H3,(H,26,29,31)
InChIKeyKCNQRFHOOUTDQW-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.02
Rot. Bonds11

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 16549931) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID16549931
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCOCCCN(C(=O)c1ccc(OCC2CCCO2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H34N4O6/c1-16(2)14-28-21(25)20(22(29)26-24(28)31)27(11-5-12-32-3)23(30)17-7-9-18(10-8-17)34-15-19-6-4-13-33-19/h7-10,16,19H,4-6,11-15,25H2,1-3H3,(H,26,29,31)
InChIKeyKCNQRFHOOUTDQW-UHFFFAOYSA-N
XLogP2.02
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-(oxolan-2-yl)propanamide
CID 55605547
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736016
methyl 2-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(3-methoxypropyl)carbamoyl]phenoxy]acetate
CID 55874466
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-tert-butylphenoxy)-N-(3-methoxypropyl)acetamide
CID 26183852
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 8840048
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 42916290
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 43037608
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide
CID 32620204
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylnaphthalene-2-carboxamide
CID 26211447
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55323346
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide
CID 42944155
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2-(2-nitrophenyl)acetamide
CID 43008125

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 16549931) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide is COCCCN(C(=O)c1ccc(OCC2CCCO2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is KCNQRFHOOUTDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-16(2)14-28-21(25)20(22(29)26-24(28)31)27(11-5-12-32-3)23(30)17-7-9-18(10-8-17)34-15-19-6-4-13-33-19/h7-10,16,19H,4-6,11-15,25H2,1-3H3,(H,26,29,31).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 474.56 g/mol, XLogP of 2.02, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 16549931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).