N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide

C24H34N4O5 — CID 55450468

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)N(CC(C)C)c2c(N)n(CCCC)c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C24H34N4O5/c1-7-9-11-27-21(25)19(22(29)26-24(27)31)28(14-15(3)4)23(30)17-12-16(10-8-2)20(33-6)18(13-17)32-5/h8,12-13,15H,2,7,9-11,14,25H2,1,3-6H3,(H,26,29,31)
InChIKeyUJKBDLVZPDMMDF-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.97
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide (PubChem CID 55450468) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
PubChem CID55450468
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)N(CC(C)C)c2c(N)n(CCCC)c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C24H34N4O5/c1-7-9-11-27-21(25)19(22(29)26-24(27)31)28(14-15(3)4)23(30)17-12-16(10-8-2)20(33-6)18(13-17)32-5/h8,12-13,15H,2,7,9-11,14,25H2,1,3-6H3,(H,26,29,31)
InChIKeyUJKBDLVZPDMMDF-UHFFFAOYSA-N
XLogP2.97
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide
CID 8917987
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 29388385
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-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 26200722
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 32620486
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(2-methylpropyl)benzamide
CID 18084094
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24686909
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
CID 26185350
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide (CID 55450468) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)N(CC(C)C)c2c(N)n(CCCC)c(=O)[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide?
The InChIKey is UJKBDLVZPDMMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-7-9-11-27-21(25)19(22(29)26-24(27)31)28(14-15(3)4)23(30)17-12-16(10-8-2)20(33-6)18(13-17)32-5/h8,12-13,15H,2,7,9-11,14,25H2,1,3-6H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide has a molecular weight of 458.56 g/mol, XLogP of 2.97, 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)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 55450468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).