2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide

C50H84N6O12 — CID 135274511

IUPAC2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
SMILESCC(C)C(=O)CC(NC(=O)CN(CCN(CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C50H84N6O12/c1-27(2)39(57)19-35(47(65)31(9)10)51-43(61)23-55(24-44(62)52-36(48(66)32(11)12)20-40(58)28(3)4)17-18-56(25-45(63)53-37(49(67)33(13)14)21-41(59)29(5)6)26-46(64)54-38(50(68)34(15)16)22-42(60)30(7)8/h27-38H,17-26H2,1-16H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)
InChIKeyYFLMIJDDPCZTEM-UHFFFAOYSA-N
MW961.25 g/mol
LogP2.89
Rot. Bonds35

About 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide

2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide (PubChem CID 135274511) has the molecular formula C50H84N6O12 and a molecular weight of 961.25 g/mol. Its IUPAC name is 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
PubChem CID135274511
Molecular FormulaC50H84N6O12
Molecular Weight961.25 g/mol
Exact Mass960.61
IUPAC Name2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
SMILESCC(C)C(=O)CC(NC(=O)CN(CCN(CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C50H84N6O12/c1-27(2)39(57)19-35(47(65)31(9)10)51-43(61)23-55(24-44(62)52-36(48(66)32(11)12)20-40(58)28(3)4)17-18-56(25-45(63)53-37(49(67)33(13)14)21-41(59)29(5)6)26-46(64)54-38(50(68)34(15)16)22-42(60)30(7)8/h27-38H,17-26H2,1-16H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)
InChIKeyYFLMIJDDPCZTEM-UHFFFAOYSA-N
XLogP2.89
TPSA259.44 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.25
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The IUPAC name of 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide (CID 135274511) is 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide.
What is the SMILES notation for 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The canonical SMILES for 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide is CC(C)C(=O)CC(NC(=O)CN(CCN(CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)CC(=O)NC(CC(=O)C(C)C)C(=O)C(C)C)C(=O)C(C)C.
What is the InChIKey of 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The InChIKey is YFLMIJDDPCZTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H84N6O12/c1-27(2)39(57)19-35(47(65)31(9)10)51-43(61)23-55(24-44(62)52-36(48(66)32(11)12)20-40(58)28(3)4)17-18-56(25-45(63)53-37(49(67)33(13)14)21-41(59)29(5)6)26-46(64)54-38(50(68)34(15)16)22-42(60)30(7)8/h27-38H,17-26H2,1-16H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64).
What are the key properties of 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide has a molecular weight of 961.25 g/mol, XLogP of 2.89, 35 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide is sourced from PubChem (CID 135274511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).