N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C17H21N3O4 — CID 34443247

IUPACN-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1OC
InChIInChI=1S/C17H21N3O4/c1-4-13(12-7-5-6-8-14(12)24-3)18-15(21)11-20-10-9-16(22)19(2)17(20)23/h5-10,13H,4,11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyKDXVJHZCFYAWKU-CYBMUJFWSA-N
MW331.37 g/mol
LogP0.82
Rot. Bonds6

About N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 34443247) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID34443247
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1OC
InChIInChI=1S/C17H21N3O4/c1-4-13(12-7-5-6-8-14(12)24-3)18-15(21)11-20-10-9-16(22)19(2)17(20)23/h5-10,13H,4,11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyKDXVJHZCFYAWKU-CYBMUJFWSA-N
XLogP0.82
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 34443252
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[1-(2-methoxyphenyl)propyl]acetamide
CID 46440756
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide
CID 60618424
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 51983397
(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-[(2R)-1-pyrazol-1-ylpropan-2-yl]acetamide
CID 38618836
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855815
N-[1-(2-methoxyphenyl)propyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 46447077
N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56824296
N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 94180156
4-[1-(2-methoxyphenyl)propylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992983

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 34443247) is N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1OC.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is KDXVJHZCFYAWKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-13(12-7-5-6-8-14(12)24-3)18-15(21)11-20-10-9-16(22)19(2)17(20)23/h5-10,13H,4,11H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 34443247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).