N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

C27H30N4O5 — CID 16550229

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C27H30N4O5/c1-4-6-14-30-24(28)22(25(32)29-27(30)34)31(16-18-10-8-7-9-11-18)26(33)23-17(3)20-15-19(35-5-2)12-13-21(20)36-23/h7-13,15H,4-6,14,16,28H2,1-3H3,(H,29,32,34)
InChIKeyMSWCOJMCUXJSFW-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.22
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 16550229) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID16550229
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C27H30N4O5/c1-4-6-14-30-24(28)22(25(32)29-27(30)34)31(16-18-10-8-7-9-11-18)26(33)23-17(3)20-15-19(35-5-2)12-13-21(20)36-23/h7-13,15H,4-6,14,16,28H2,1-3H3,(H,29,32,34)
InChIKeyMSWCOJMCUXJSFW-UHFFFAOYSA-N
XLogP4.22
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-benzylfuran-2-carboxamide
CID 18084185
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-bromofuran-2-carboxamide
CID 26186357
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
CID 55883038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide
CID 26186335
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134282
ethyl 3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1-benzofuran-2-carboxylate
CID 55474866
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(methoxymethyl)-N-pentyl-1-benzofuran-2-carboxamide
CID 55341580
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-benzyl-2,3-dichlorobenzamide
CID 26186362
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylbut-2-enamide
CID 30659785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830376

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 16550229) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MSWCOJMCUXJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-4-6-14-30-24(28)22(25(32)29-27(30)34)31(16-18-10-8-7-9-11-18)26(33)23-17(3)20-15-19(35-5-2)12-13-21(20)36-23/h7-13,15H,4-6,14,16,28H2,1-3H3,(H,29,32,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.22, 9 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-benzyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16550229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).