N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide

C27H34N4O4 — CID 55338202

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(COc3ccccc3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H34N4O4/c1-4-5-16-31-24(28)23(25(32)29-27(31)34)30(17-15-19(2)3)26(33)21-13-11-20(12-14-21)18-35-22-9-7-6-8-10-22/h6-14,19H,4-5,15-18,28H2,1-3H3,(H,29,32,34)
InChIKeyKQUGICJATIGAQP-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.19
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide (PubChem CID 55338202) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
PubChem CID55338202
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(COc3ccccc3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H34N4O4/c1-4-5-16-31-24(28)23(25(32)29-27(31)34)30(17-15-19(2)3)26(33)21-13-11-20(12-14-21)18-35-22-9-7-6-8-10-22/h6-14,19H,4-5,15-18,28H2,1-3H3,(H,29,32,34)
InChIKeyKQUGICJATIGAQP-UHFFFAOYSA-N
XLogP4.19
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 16550078
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
CID 26185350
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-(phenoxymethyl)furan-2-carboxamide
CID 25163160
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
methyl 6-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)carbamoyl]pyridine-3-carboxylate
CID 30748038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide
CID 78904288
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
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)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 52896459
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 32620486

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide (CID 55338202) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(COc3ccccc3)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide?
The InChIKey is KQUGICJATIGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-4-5-16-31-24(28)23(25(32)29-27(31)34)30(17-15-19(2)3)26(33)21-13-11-20(12-14-21)18-35-22-9-7-6-8-10-22/h6-14,19H,4-5,15-18,28H2,1-3H3,(H,29,32,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide has a molecular weight of 478.59 g/mol, XLogP of 4.19, 11 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)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 55338202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).