[3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate

C15H28N2O4 — CID 145046693

IUPAC[3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate
SMILESCCCNC(=O)CCNC(=O)C(OC(C)=O)C(C)(C)CC
InChIInChI=1S/C15H28N2O4/c1-6-9-16-12(19)8-10-17-14(20)13(21-11(3)18)15(4,5)7-2/h13H,6-10H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyUFNJYRCHNQSCGY-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.39
Rot. Bonds9

About [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate

[3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate (PubChem CID 145046693) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate.

Molecular Properties

Compound Name[3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate
PubChem CID145046693
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name[3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate
SMILESCCCNC(=O)CCNC(=O)C(OC(C)=O)C(C)(C)CC
InChIInChI=1S/C15H28N2O4/c1-6-9-16-12(19)8-10-17-14(20)13(21-11(3)18)15(4,5)7-2/h13H,6-10H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyUFNJYRCHNQSCGY-UHFFFAOYSA-N
XLogP1.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] acetate
CID 130382457
[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate
CID 145046697
[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane
CID 145046696
[(3R)-3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] acetate
CID 156904721
[(3R)-3-acetyloxy-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate
CID 156904694
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 25171583
2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 76927682
2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]pentanamide
CID 123282459
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
ethane;[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] methyl hydrogen phosphate
CID 142383794
4,4-dimethyl-5-oxo-N-propylhexanamide
CID 88908325
ethane;(5Z,8Z,11Z,14Z,17Z)-N-[2-[2-[3-[[(2R)-2-methoxy-3,3-dimethylpentanoyl]amino]propanoylamino]ethyldisulfanyl]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 144673516

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate?
The IUPAC name of [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate (CID 145046693) is [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate.
What is the SMILES notation for [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate?
The canonical SMILES for [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate is CCCNC(=O)CCNC(=O)C(OC(C)=O)C(C)(C)CC.
What is the InChIKey of [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate?
The InChIKey is UFNJYRCHNQSCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-9-16-12(19)8-10-17-14(20)13(21-11(3)18)15(4,5)7-2/h13H,6-10H2,1-5H3,(H,16,19)(H,17,20).
What are the key properties of [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate?
[3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate has a molecular weight of 300.40 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate is sourced from PubChem (CID 145046693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).