N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide

C23H35N5O4 — CID 2115877

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CN(C)Cc2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H35N5O4/c1-6-7-11-27-21(24)20(22(30)25-23(27)31)28(13-16(2)3)19(29)15-26(4)14-17-9-8-10-18(12-17)32-5/h8-10,12,16H,6-7,11,13-15,24H2,1-5H3,(H,25,30,31)
InChIKeyJENZAHGISUZBFO-UHFFFAOYSA-N
MW445.56 g/mol
LogP2.05
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 2115877) has the molecular formula C23H35N5O4 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID2115877
Molecular FormulaC23H35N5O4
Molecular Weight445.56 g/mol
Exact Mass445.27
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CN(C)Cc2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H35N5O4/c1-6-7-11-27-21(24)20(22(30)25-23(27)31)28(13-16(2)3)19(29)15-26(4)14-17-9-8-10-18(12-17)32-5/h8-10,12,16H,6-7,11,13-15,24H2,1-5H3,(H,25,30,31)
InChIKeyJENZAHGISUZBFO-UHFFFAOYSA-N
XLogP2.05
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide (CID 2115877) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide is CCCCn1c(N)c(N(CC(C)C)C(=O)CN(C)Cc2cccc(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is JENZAHGISUZBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4/c1-6-7-11-27-21(24)20(22(30)25-23(27)31)28(13-16(2)3)19(29)15-26(4)14-17-9-8-10-18(12-17)32-5/h8-10,12,16H,6-7,11,13-15,24H2,1-5H3,(H,25,30,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 445.56 g/mol, XLogP of 2.05, 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)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 2115877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).