2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide

C43H81N7O8 — CID 91251167

IUPAC2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
SMILESCCCC(COCC(=O)N(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)(CC(C)C)CC(C)C
InChIInChI=1S/C43H81N7O8/c1-14-23-43(24-34(10)11,25-35(12)13)33-58-32-42(57)50(30-40(55)48(26-36(51)44(15-2)16-3)27-37(52)45(17-4)18-5)31-41(56)49(28-38(53)46(19-6)20-7)29-39(54)47(21-8)22-9/h34-35H,14-33H2,1-13H3
InChIKeyPEUADPCWQYDNTL-UHFFFAOYSA-N
MW824.16 g/mol
LogP3.84
Rot. Bonds30

About 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide

2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide (PubChem CID 91251167) has the molecular formula C43H81N7O8 and a molecular weight of 824.16 g/mol. Its IUPAC name is 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
PubChem CID91251167
Molecular FormulaC43H81N7O8
Molecular Weight824.16 g/mol
Exact Mass823.61
IUPAC Name2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
SMILESCCCC(COCC(=O)N(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)(CC(C)C)CC(C)C
InChIInChI=1S/C43H81N7O8/c1-14-23-43(24-34(10)11,25-35(12)13)33-58-32-42(57)50(30-40(55)48(26-36(51)44(15-2)16-3)27-37(52)45(17-4)18-5)31-41(56)49(28-38(53)46(19-6)20-7)29-39(54)47(21-8)22-9/h34-35H,14-33H2,1-13H3
InChIKeyPEUADPCWQYDNTL-UHFFFAOYSA-N
XLogP3.84
TPSA151.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500824.16
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide (CID 91251167) is 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide is CCCC(COCC(=O)N(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)(CC(C)C)CC(C)C.
What is the InChIKey of 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide?
The InChIKey is PEUADPCWQYDNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H81N7O8/c1-14-23-43(24-34(10)11,25-35(12)13)33-58-32-42(57)50(30-40(55)48(26-36(51)44(15-2)16-3)27-37(52)45(17-4)18-5)31-41(56)49(28-38(53)46(19-6)20-7)29-39(54)47(21-8)22-9/h34-35H,14-33H2,1-13H3.
What are the key properties of 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide?
2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide has a molecular weight of 824.16 g/mol, XLogP of 3.84, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide is sourced from PubChem (CID 91251167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).