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

C32H59N3O5 — CID 146264409

IUPAC1-[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
SMILESCCC(=O)CN(CCN(CCN(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)CC(=O)C(C)(C)C
InChIInChI=1S/C32H59N3O5/c1-14-24(36)19-34(21-26(38)30(5,6)7)17-15-33(20-25(37)29(2,3)4)16-18-35(22-27(39)31(8,9)10)23-28(40)32(11,12)13/h14-23H2,1-13H3
InChIKeyNHMRCTONRWJWNL-UHFFFAOYSA-N
MW565.84 g/mol
LogP4.33
Rot. Bonds17

About 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

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 (PubChem CID 146264409) has the molecular formula C32H59N3O5 and a molecular weight of 565.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID146264409
Molecular FormulaC32H59N3O5
Molecular Weight565.84 g/mol
Exact Mass565.45
IUPAC Name1-[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
SMILESCCC(=O)CN(CCN(CCN(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)CC(=O)C(C)(C)C
InChIInChI=1S/C32H59N3O5/c1-14-24(36)19-34(21-26(38)30(5,6)7)17-15-33(20-25(37)29(2,3)4)16-18-35(22-27(39)31(8,9)10)23-28(40)32(11,12)13/h14-23H2,1-13H3
InChIKeyNHMRCTONRWJWNL-UHFFFAOYSA-N
XLogP4.33
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.84
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(=O)CN(CCN(CCN(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)CC(=O)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is NHMRCTONRWJWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59N3O5/c1-14-24(36)19-34(21-26(38)30(5,6)7)17-15-33(20-25(37)29(2,3)4)16-18-35(22-27(39)31(8,9)10)23-28(40)32(11,12)13/h14-23H2,1-13H3.
What are the key properties of 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?
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 has a molecular weight of 565.84 g/mol, XLogP of 4.33, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146264409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).