[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C20H24N4O3 — CID 55640954

IUPAC[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCC(=O)NCC1(c2ccccc2)CCC1)c1ncccn1
InChIInChI=1S/C20H24N4O3/c1-24(19-21-11-6-12-22-19)13-18(26)27-14-17(25)23-15-20(9-5-10-20)16-7-3-2-4-8-16/h2-4,6-8,11-12H,5,9-10,13-15H2,1H3,(H,23,25)
InChIKeyZGEAWWPKNFQUBI-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.69
Rot. Bonds8

About [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 55640954) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID55640954
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCC(=O)NCC1(c2ccccc2)CCC1)c1ncccn1
InChIInChI=1S/C20H24N4O3/c1-24(19-21-11-6-12-22-19)13-18(26)27-14-17(25)23-15-20(9-5-10-20)16-7-3-2-4-8-16/h2-4,6-8,11-12H,5,9-10,13-15H2,1H3,(H,23,25)
InChIKeyZGEAWWPKNFQUBI-UHFFFAOYSA-N
XLogP1.69
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602685
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602636
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 5-methylthiophene-2-carboxylate
CID 30407713
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 4-methylsulfinylbenzoate
CID 55525643
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 30896186
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 5-methylpyrazine-2-carboxylate
CID 30583280
2-(4-cyanophenoxy)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 17437937
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate
CID 30517012

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 55640954) is [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CN(CC(=O)OCC(=O)NCC1(c2ccccc2)CCC1)c1ncccn1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is ZGEAWWPKNFQUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-24(19-21-11-6-12-22-19)13-18(26)27-14-17(25)23-15-20(9-5-10-20)16-7-3-2-4-8-16/h2-4,6-8,11-12H,5,9-10,13-15H2,1H3,(H,23,25).
What are the key properties of [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 368.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 55640954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).