N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

C18H23N3O4 — CID 33142762

IUPACN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)Cn2cccnc2=O)cc1OCC
InChIInChI=1S/C18H23N3O4/c1-4-24-15-8-7-14(11-16(15)25-5-2)13(3)20-17(22)12-21-10-6-9-19-18(21)23/h6-11,13H,4-5,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyXLDURBPTHYYCDE-CYBMUJFWSA-N
MW345.40 g/mol
LogP1.92
Rot. Bonds8

About N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 33142762) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID33142762
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)Cn2cccnc2=O)cc1OCC
InChIInChI=1S/C18H23N3O4/c1-4-24-15-8-7-14(11-16(15)25-5-2)13(3)20-17(22)12-21-10-6-9-19-18(21)23/h6-11,13H,4-5,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyXLDURBPTHYYCDE-CYBMUJFWSA-N
XLogP1.92
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55787245
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9418997
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55523156
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 113252770
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9162188
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 33142762) is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is CCOc1ccc([C@@H](C)NC(=O)Cn2cccnc2=O)cc1OCC.
What is the InChIKey of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is XLDURBPTHYYCDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-24-15-8-7-14(11-16(15)25-5-2)13(3)20-17(22)12-21-10-6-9-19-18(21)23/h6-11,13H,4-5,12H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 33142762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).