2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C31H44ClN7O8 — CID 110171556

IUPAC2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(CC(=O)NCCCN2CCOCC2)c(=O)n1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C31H44ClN7O8/c1-23-29(35-28(42)22-47-25-6-4-24(32)5-7-25)30(43)39(21-27(41)34-9-3-11-37-14-18-46-19-15-37)31(44)38(23)20-26(40)33-8-2-10-36-12-16-45-17-13-36/h4-7H,2-3,8-22H2,1H3,(H,33,40)(H,34,41)(H,35,42)
InChIKeyXGZGPBOUJZXPAN-UHFFFAOYSA-N
MW678.19 g/mol
LogP-0.33
Rot. Bonds16

About 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 110171556) has the molecular formula C31H44ClN7O8 and a molecular weight of 678.19 g/mol. Its IUPAC name is 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID110171556
Molecular FormulaC31H44ClN7O8
Molecular Weight678.19 g/mol
Exact Mass677.29
IUPAC Name2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(CC(=O)NCCCN2CCOCC2)c(=O)n1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C31H44ClN7O8/c1-23-29(35-28(42)22-47-25-6-4-24(32)5-7-25)30(43)39(21-27(41)34-9-3-11-37-14-18-46-19-15-37)31(44)38(23)20-26(40)33-8-2-10-36-12-16-45-17-13-36/h4-7H,2-3,8-22H2,1H3,(H,33,40)(H,34,41)(H,35,42)
InChIKeyXGZGPBOUJZXPAN-UHFFFAOYSA-N
XLogP-0.33
TPSA165.47 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide
CID 110171545
4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide
CID 3533015
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45372530
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 55848555
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84559932
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781822
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
2-(4-chlorophenoxy)-N-(2-methyl-5-morpholin-4-ylphenyl)acetamide
CID 110362472
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 92649125

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 110171556) is 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is Cc1c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(CC(=O)NCCCN2CCOCC2)c(=O)n1CC(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is XGZGPBOUJZXPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44ClN7O8/c1-23-29(35-28(42)22-47-25-6-4-24(32)5-7-25)30(43)39(21-27(41)34-9-3-11-37-14-18-46-19-15-37)31(44)38(23)20-26(40)33-8-2-10-36-12-16-45-17-13-36/h4-7H,2-3,8-22H2,1H3,(H,33,40)(H,34,41)(H,35,42).
What are the key properties of 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 678.19 g/mol, XLogP of -0.33, 16 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 110171556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).