2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

C14H28N2O3 — CID 62014229

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN(CCCO)C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)14(12(5)18)15-13(19)9-16(11(3)4)7-6-8-17/h10-11,14,17H,6-9H2,1-5H3,(H,15,19)
InChIKeyXWGMUZCEAREWJX-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.81
Rot. Bonds9

About 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 62014229) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID62014229
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN(CCCO)C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)14(12(5)18)15-13(19)9-16(11(3)4)7-6-8-17/h10-11,14,17H,6-9H2,1-5H3,(H,15,19)
InChIKeyXWGMUZCEAREWJX-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82951079
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691834
2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54962103
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 62022001
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55210363
2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 103189926
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 61489563
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113239606
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78974200
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60839716

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 62014229) is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN(CCCO)C(C)C)C(C)C.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is XWGMUZCEAREWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)14(12(5)18)15-13(19)9-16(11(3)4)7-6-8-17/h10-11,14,17H,6-9H2,1-5H3,(H,15,19).
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 62014229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).