4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate

C20H40N2O4 — CID 123321066

IUPAC4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)C)C(=O)OC(C)CCNC(CC(C)C)C(=O)OC(C)C
InChIInChI=1S/C20H40N2O4/c1-13(2)11-17(21-8)19(23)26-16(7)9-10-22-18(12-14(3)4)20(24)25-15(5)6/h13-18,21-22H,9-12H2,1-8H3
InChIKeyKIAFKZUSCRIHMK-UHFFFAOYSA-N
MW372.55 g/mol
LogP2.90
Rot. Bonds13

About 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate

4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate (PubChem CID 123321066) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Name4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate
PubChem CID123321066
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Name4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)C)C(=O)OC(C)CCNC(CC(C)C)C(=O)OC(C)C
InChIInChI=1S/C20H40N2O4/c1-13(2)11-17(21-8)19(23)26-16(7)9-10-22-18(12-14(3)4)20(24)25-15(5)6/h13-18,21-22H,9-12H2,1-8H3
InChIKeyKIAFKZUSCRIHMK-UHFFFAOYSA-N
XLogP2.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate?
The IUPAC name of 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate (CID 123321066) is 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate?
The canonical SMILES for 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate is CNC(CC(C)C)C(=O)OC(C)CCNC(CC(C)C)C(=O)OC(C)C.
What is the InChIKey of 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate?
The InChIKey is KIAFKZUSCRIHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-13(2)11-17(21-8)19(23)26-16(7)9-10-22-18(12-14(3)4)20(24)25-15(5)6/h13-18,21-22H,9-12H2,1-8H3.
What are the key properties of 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate?
4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate has a molecular weight of 372.55 g/mol, XLogP of 2.90, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)amino]butan-2-yl 4-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 123321066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).