5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide

C29H45N5O8 — CID 162050221

IUPAC5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCCCNC(=O)CN(CC(=O)CCCO)C(=O)c1cc(CC)cc(C(=O)N(CC(=O)NCCC)CC(=O)NCCO)c1
InChIInChI=1S/C29H45N5O8/c1-4-9-30-25(38)18-33(17-24(37)8-7-12-35)28(41)22-14-21(6-3)15-23(16-22)29(42)34(19-26(39)31-10-5-2)20-27(40)32-11-13-36/h14-16,35-36H,4-13,17-20H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)
InChIKeyVQATVWSZWAHYEK-UHFFFAOYSA-N
MW591.71 g/mol
LogP-0.36
Rot. Bonds20

About 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide

5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 162050221) has the molecular formula C29H45N5O8 and a molecular weight of 591.71 g/mol. Its IUPAC name is 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID162050221
Molecular FormulaC29H45N5O8
Molecular Weight591.71 g/mol
Exact Mass591.33
IUPAC Name5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCCCNC(=O)CN(CC(=O)CCCO)C(=O)c1cc(CC)cc(C(=O)N(CC(=O)NCCC)CC(=O)NCCO)c1
InChIInChI=1S/C29H45N5O8/c1-4-9-30-25(38)18-33(17-24(37)8-7-12-35)28(41)22-14-21(6-3)15-23(16-22)29(42)34(19-26(39)31-10-5-2)20-27(40)32-11-13-36/h14-16,35-36H,4-13,17-20H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)
InChIKeyVQATVWSZWAHYEK-UHFFFAOYSA-N
XLogP-0.36
TPSA185.45 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.71
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide
CID 159267540
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
4-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]benzoic acid
CID 119181956
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
CID 111859978
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
5-chloro-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55865449
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107585
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 4257361
4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 87022112

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide (CID 162050221) is 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide is CCCNC(=O)CN(CC(=O)CCCO)C(=O)c1cc(CC)cc(C(=O)N(CC(=O)NCCC)CC(=O)NCCO)c1.
What is the InChIKey of 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is VQATVWSZWAHYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N5O8/c1-4-9-30-25(38)18-33(17-24(37)8-7-12-35)28(41)22-14-21(6-3)15-23(16-22)29(42)34(19-26(39)31-10-5-2)20-27(40)32-11-13-36/h14-16,35-36H,4-13,17-20H2,1-3H3,(H,30,38)(H,31,39)(H,32,40).
What are the key properties of 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide?
5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 591.71 g/mol, XLogP of -0.36, 20 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 162050221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).