N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C19H24ClN3O3 — CID 60621687

IUPACN-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCC(CC)(CNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O3/c1-4-19(5-2,14-6-8-15(20)9-7-14)13-21-16(24)12-23-11-10-17(25)22(3)18(23)26/h6-11H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyCUGNWKWBRCXKJS-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.07
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 60621687) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID60621687
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCC(CC)(CNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O3/c1-4-19(5-2,14-6-8-15(20)9-7-14)13-21-16(24)12-23-11-10-17(25)22(3)18(23)26/h6-11H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyCUGNWKWBRCXKJS-UHFFFAOYSA-N
XLogP2.07
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 120977685
2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 81368356
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60573556
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
CID 39135540
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51078866
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
CID 119768490
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546219
N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 112550431
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]acetamide
CID 38618836

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 60621687) is N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CCC(CC)(CNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is CUGNWKWBRCXKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-4-19(5-2,14-6-8-15(20)9-7-14)13-21-16(24)12-23-11-10-17(25)22(3)18(23)26/h6-11H,4-5,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 377.87 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 60621687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).