methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

C32H34N4O6 — CID 15341977

IUPACmethyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(CCNC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C32H34N4O6/c1-23-20-36(31(40)34-30(23)39)21-28(37)35(22-29(38)42-3)19-18-33-32(24-10-6-4-7-11-24,25-12-8-5-9-13-25)26-14-16-27(41-2)17-15-26/h4-17,20,33H,18-19,21-22H2,1-3H3,(H,34,39,40)
InChIKeyYRRYHRVTIOIOAL-UHFFFAOYSA-N
MW570.65 g/mol
LogP2.44
Rot. Bonds12

About methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 15341977) has the molecular formula C32H34N4O6 and a molecular weight of 570.65 g/mol. Its IUPAC name is methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID15341977
Molecular FormulaC32H34N4O6
Molecular Weight570.65 g/mol
Exact Mass570.25
IUPAC Namemethyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(CCNC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C32H34N4O6/c1-23-20-36(31(40)34-30(23)39)21-28(37)35(22-29(38)42-3)19-18-33-32(24-10-6-4-7-11-24,25-12-8-5-9-13-25)26-14-16-27(41-2)17-15-26/h4-17,20,33H,18-19,21-22H2,1-3H3,(H,34,39,40)
InChIKeyYRRYHRVTIOIOAL-UHFFFAOYSA-N
XLogP2.44
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.65
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (CID 15341977) is methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is COC(=O)CN(CCNC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is YRRYHRVTIOIOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O6/c1-23-20-36(31(40)34-30(23)39)21-28(37)35(22-29(38)42-3)19-18-33-32(24-10-6-4-7-11-24,25-12-8-5-9-13-25)26-14-16-27(41-2)17-15-26/h4-17,20,33H,18-19,21-22H2,1-3H3,(H,34,39,40).
What are the key properties of methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 570.65 g/mol, XLogP of 2.44, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 15341977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).