N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide

C19H26N4O4 — CID 18077269

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccccc2OCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-7-12-23-16(20)15(17(24)21-19(23)26)22(5-2)18(25)13-10-8-9-11-14(13)27-6-3/h8-11H,4-7,12,20H2,1-3H3,(H,21,24,26)
InChIKeyWXJVKWIPWLYIOH-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.98
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide (PubChem CID 18077269) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide
PubChem CID18077269
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccccc2OCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-7-12-23-16(20)15(17(24)21-19(23)26)22(5-2)18(25)13-10-8-9-11-14(13)27-6-3/h8-11H,4-7,12,20H2,1-3H3,(H,21,24,26)
InChIKeyWXJVKWIPWLYIOH-UHFFFAOYSA-N
XLogP1.98
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(2-methylpropyl)benzamide
CID 18084094
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-ethoxybenzamide
CID 26211467
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 26206430
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-(2-methoxyphenyl)-N-propylacetamide
CID 8839015
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-methyl-3-nitrobenzamide
CID 29309974
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-methylfuran-3-carboxamide
CID 18196708
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 32620486
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(difluoromethoxy)benzamide
CID 26250944
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
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)-2-ethoxy-N-ethylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide (CID 18077269) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide is CCCCn1c(N)c(N(CC)C(=O)c2ccccc2OCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide?
The InChIKey is WXJVKWIPWLYIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-7-12-23-16(20)15(17(24)21-19(23)26)22(5-2)18(25)13-10-8-9-11-14(13)27-6-3/h8-11H,4-7,12,20H2,1-3H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 1.98, 8 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)-2-ethoxy-N-ethylbenzamide is sourced from PubChem (CID 18077269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).