2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide

C47H89N7O8 — CID 91502996

IUPAC2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
SMILESCCCCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)CN(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)C(=O)COCC(CC(C)C)(CC(C)C)CC(C)(C)C
InChIInChI=1S/C47H89N7O8/c1-16-24-25-51(23-8)42(58)31-53(30-41(57)50(21-6)22-7)44(60)33-54(45(61)34-62-36-47(26-37(9)10,27-38(11)12)35-46(13,14)15)32-43(59)52(28-39(55)48(17-2)18-3)29-40(56)49(19-4)20-5/h37-38H,16-36H2,1-15H3
InChIKeyURPTULKUCCQHRN-UHFFFAOYSA-N
MW880.27 g/mol
LogP5.26
Rot. Bonds31

About 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide

2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide (PubChem CID 91502996) has the molecular formula C47H89N7O8 and a molecular weight of 880.27 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
PubChem CID91502996
Molecular FormulaC47H89N7O8
Molecular Weight880.27 g/mol
Exact Mass879.68
IUPAC Name2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
SMILESCCCCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)CN(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)C(=O)COCC(CC(C)C)(CC(C)C)CC(C)(C)C
InChIInChI=1S/C47H89N7O8/c1-16-24-25-51(23-8)42(58)31-53(30-41(57)50(21-6)22-7)44(60)33-54(45(61)34-62-36-47(26-37(9)10,27-38(11)12)35-46(13,14)15)32-43(59)52(28-39(55)48(17-2)18-3)29-40(56)49(19-4)20-5/h37-38H,16-36H2,1-15H3
InChIKeyURPTULKUCCQHRN-UHFFFAOYSA-N
XLogP5.26
TPSA151.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds31
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.27
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]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-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide (CID 91502996) is 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide is CCCCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)CN(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)C(=O)COCC(CC(C)C)(CC(C)C)CC(C)(C)C.
What is the InChIKey of 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide?
The InChIKey is URPTULKUCCQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H89N7O8/c1-16-24-25-51(23-8)42(58)31-53(30-41(57)50(21-6)22-7)44(60)33-54(45(61)34-62-36-47(26-37(9)10,27-38(11)12)35-46(13,14)15)32-43(59)52(28-39(55)48(17-2)18-3)29-40(56)49(19-4)20-5/h37-38H,16-36H2,1-15H3.
What are the key properties of 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide?
2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide has a molecular weight of 880.27 g/mol, XLogP of 5.26, 31 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4-dimethyl-2,2-bis(2-methylpropyl)pentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide is sourced from PubChem (CID 91502996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).