N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide

C24H32N4O5 — CID 55341580

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide
SMILESCCCCCN(C(=O)c1oc2ccccc2c1COC)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O5/c1-4-6-10-14-27(19-21(25)28(13-7-5-2)24(31)26-22(19)29)23(30)20-17(15-32-3)16-11-8-9-12-18(16)33-20/h8-9,11-12H,4-7,10,13-15,25H2,1-3H3,(H,26,29,31)
InChIKeyCWDPRJAZZVWBBO-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.65
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide (PubChem CID 55341580) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide
PubChem CID55341580
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide
SMILESCCCCCN(C(=O)c1oc2ccccc2c1COC)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O5/c1-4-6-10-14-27(19-21(25)28(13-7-5-2)24(31)26-22(19)29)23(30)20-17(15-32-3)16-11-8-9-12-18(16)33-20/h8-9,11-12H,4-7,10,13-15,25H2,1-3H3,(H,26,29,31)
InChIKeyCWDPRJAZZVWBBO-UHFFFAOYSA-N
XLogP3.65
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-N-pentyl-1-benzofuran-2-carboxamide
CID 8838834
ethyl 3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1-benzofuran-2-carboxylate
CID 55474866
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551473
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(phenoxymethyl)furan-2-carboxamide
CID 16593364
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-(trifluoromethyl)benzamide
CID 26205785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448114
benzyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987801
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 43032737
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 16550229
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
CID 26185426
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-bromo-5-methoxy-N-pentylbenzamide
CID 26205740
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylbenzamide
CID 26185536

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide (CID 55341580) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide is CCCCCN(C(=O)c1oc2ccccc2c1COC)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide?
The InChIKey is CWDPRJAZZVWBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-4-6-10-14-27(19-21(25)28(13-7-5-2)24(31)26-22(19)29)23(30)20-17(15-32-3)16-11-8-9-12-18(16)33-20/h8-9,11-12H,4-7,10,13-15,25H2,1-3H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 3.65, 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)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55341580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).