3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide

C15H30N2O4 — CID 175448914

IUPAC3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
SMILESCC(=O)CC(C)(C)NC(=O)CCN(CC(C)O)CC(C)O
InChIInChI=1S/C15H30N2O4/c1-11(18)8-15(4,5)16-14(21)6-7-17(9-12(2)19)10-13(3)20/h12-13,19-20H,6-10H2,1-5H3,(H,16,21)
InChIKeyDRQQIMHVFIKPPJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.31
Rot. Bonds10

About 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide

3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide (PubChem CID 175448914) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
PubChem CID175448914
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
SMILESCC(=O)CC(C)(C)NC(=O)CCN(CC(C)O)CC(C)O
InChIInChI=1S/C15H30N2O4/c1-11(18)8-15(4,5)16-14(21)6-7-17(9-12(2)19)10-13(3)20/h12-13,19-20H,6-10H2,1-5H3,(H,16,21)
InChIKeyDRQQIMHVFIKPPJ-UHFFFAOYSA-N
XLogP0.31
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The IUPAC name of 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide (CID 175448914) is 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide.
What is the SMILES notation for 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The canonical SMILES for 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide is CC(=O)CC(C)(C)NC(=O)CCN(CC(C)O)CC(C)O.
What is the InChIKey of 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The InChIKey is DRQQIMHVFIKPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-11(18)8-15(4,5)16-14(21)6-7-17(9-12(2)19)10-13(3)20/h12-13,19-20H,6-10H2,1-5H3,(H,16,21).
What are the key properties of 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 0.31, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxypropyl)amino]-N-(2-methyl-4-oxopentan-2-yl)propanamide is sourced from PubChem (CID 175448914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).