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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Related Compounds

3-chloro-N-(2-methyl-4-oxopentan-2-yl)propanamide
CID 86004793
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3024639
3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
CID 47006436
N-tert-butyl-3-(diethylamino)propanamide
CID 109030701
3-(4-aminopentanoylamino)-3-methylbutanoic acid
CID 64683706
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide
CID 126701035
N-cyclopropyl-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62627967
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
CID 106096608

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).