1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one

C26H47N3O5 — CID 145053842

IUPAC1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one
SMILESCCC(=O)CN(CCN(CCN(CC(=O)C(C)C)CC(=O)C(C)C)CC(C)=O)CC(=O)C(C)C
InChIInChI=1S/C26H47N3O5/c1-9-23(31)15-28(16-24(32)19(2)3)12-10-27(14-22(8)30)11-13-29(17-25(33)20(4)5)18-26(34)21(6)7/h19-21H,9-18H2,1-8H3
InChIKeyMUYOUYUQYQVJDV-UHFFFAOYSA-N
MW481.68 g/mol
LogP2.14
Rot. Bonds20

About 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one

1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one (PubChem CID 145053842) has the molecular formula C26H47N3O5 and a molecular weight of 481.68 g/mol. Its IUPAC name is 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one
PubChem CID145053842
Molecular FormulaC26H47N3O5
Molecular Weight481.68 g/mol
Exact Mass481.35
IUPAC Name1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one
SMILESCCC(=O)CN(CCN(CCN(CC(=O)C(C)C)CC(=O)C(C)C)CC(C)=O)CC(=O)C(C)C
InChIInChI=1S/C26H47N3O5/c1-9-23(31)15-28(16-24(32)19(2)3)12-10-27(14-22(8)30)11-13-29(17-25(33)20(4)5)18-26(34)21(6)7/h19-21H,9-18H2,1-8H3
InChIKeyMUYOUYUQYQVJDV-UHFFFAOYSA-N
XLogP2.14
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.68
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[bis(2-oxobutyl)amino]-3-methylbutan-2-one
CID 135280790
1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one
CID 146611862
1-[2-[bis(3,3-dimethyl-2-oxobutyl)amino]ethyl-[2-[(3,3-dimethyl-2-oxobutyl)-(2-oxobutyl)amino]ethyl]amino]-3,3-dimethylbutan-2-one
CID 146264409
2-[(2-amino-2-oxoethyl)-(2-oxobutyl)amino]acetamide
CID 62922447
2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid
CID 147199567
sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
CID 82329209
butan-2-one;ethane;2-methylpropane
CID 145444223
1-[bis(2-oxopropyl)amino]propan-2-one;hydrate
CID 88695571
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one
CID 121263417
ethane;1-[ethyl(methyl)amino]propan-2-one
CID 142250702

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one (CID 145053842) is 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one is CCC(=O)CN(CCN(CCN(CC(=O)C(C)C)CC(=O)C(C)C)CC(C)=O)CC(=O)C(C)C.
What is the InChIKey of 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one?
The InChIKey is MUYOUYUQYQVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O5/c1-9-23(31)15-28(16-24(32)19(2)3)12-10-27(14-22(8)30)11-13-29(17-25(33)20(4)5)18-26(34)21(6)7/h19-21H,9-18H2,1-8H3.
What are the key properties of 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one?
1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one has a molecular weight of 481.68 g/mol, XLogP of 2.14, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 145053842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).