N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

C17H21N3O4 — CID 33141570

IUPACN-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cn2cccnc2=O)cc1OC
InChIInChI=1S/C17H21N3O4/c1-4-24-14-7-6-13(10-15(14)23-3)12(2)19-16(21)11-20-9-5-8-18-17(20)22/h5-10,12H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyZCQWMDFFSPJYJM-LBPRGKRZSA-N
MW331.37 g/mol
LogP1.53
Rot. Bonds7

About N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 33141570) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID33141570
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cn2cccnc2=O)cc1OC
InChIInChI=1S/C17H21N3O4/c1-4-24-14-7-6-13(10-15(14)23-3)12(2)19-16(21)11-20-9-5-8-18-17(20)22/h5-10,12H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyZCQWMDFFSPJYJM-LBPRGKRZSA-N
XLogP1.53
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 33141570) is N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is CCOc1ccc([C@H](C)NC(=O)Cn2cccnc2=O)cc1OC.
What is the InChIKey of N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZCQWMDFFSPJYJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-24-14-7-6-13(10-15(14)23-3)12(2)19-16(21)11-20-9-5-8-18-17(20)22/h5-10,12H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 33141570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).