N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide

C38H56N6O12 — CID 164888522

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide
SMILESCOCCOCCOCCNC(=O)CCn1cc(C)c(=O)n(Cc2ccc(Cn3c(=O)c(C)cn(CCC(=O)NCCOCCOCCOC)c3=O)cc2)c1=O
InChIInChI=1S/C38H56N6O12/c1-29-25-41(13-9-33(45)39-11-15-53-21-23-55-19-17-51-3)37(49)43(35(29)47)27-31-5-7-32(8-6-31)28-44-36(48)30(2)26-42(38(44)50)14-10-34(46)40-12-16-54-22-24-56-20-18-52-4/h5-8,25-26H,9-24,27-28H2,1-4H3,(H,39,45)(H,40,46)
InChIKeyXDCQCNFVNSKQGB-UHFFFAOYSA-N
MW788.90 g/mol
LogP-0.58
Rot. Bonds28

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide (PubChem CID 164888522) has the molecular formula C38H56N6O12 and a molecular weight of 788.90 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide
PubChem CID164888522
Molecular FormulaC38H56N6O12
Molecular Weight788.90 g/mol
Exact Mass788.40
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide
SMILESCOCCOCCOCCNC(=O)CCn1cc(C)c(=O)n(Cc2ccc(Cn3c(=O)c(C)cn(CCC(=O)NCCOCCOCCOC)c3=O)cc2)c1=O
InChIInChI=1S/C38H56N6O12/c1-29-25-41(13-9-33(45)39-11-15-53-21-23-55-19-17-51-3)37(49)43(35(29)47)27-31-5-7-32(8-6-31)28-44-36(48)30(2)26-42(38(44)50)14-10-34(46)40-12-16-54-22-24-56-20-18-52-4/h5-8,25-26H,9-24,27-28H2,1-4H3,(H,39,45)(H,40,46)
InChIKeyXDCQCNFVNSKQGB-UHFFFAOYSA-N
XLogP-0.58
TPSA201.58 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.90
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide (CID 164888522) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide is COCCOCCOCCNC(=O)CCn1cc(C)c(=O)n(Cc2ccc(Cn3c(=O)c(C)cn(CCC(=O)NCCOCCOCCOC)c3=O)cc2)c1=O.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide?
The InChIKey is XDCQCNFVNSKQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56N6O12/c1-29-25-41(13-9-33(45)39-11-15-53-21-23-55-19-17-51-3)37(49)43(35(29)47)27-31-5-7-32(8-6-31)28-44-36(48)30(2)26-42(38(44)50)14-10-34(46)40-12-16-54-22-24-56-20-18-52-4/h5-8,25-26H,9-24,27-28H2,1-4H3,(H,39,45)(H,40,46).
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide has a molecular weight of 788.90 g/mol, XLogP of -0.58, 28 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[3-[[4-[[3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]phenyl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]propanamide is sourced from PubChem (CID 164888522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).