(2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one

C14H29NO2 — CID 153494756

IUPAC(2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one
SMILESCC(C)C(=O)[C@@H](COC(C)(C)C)N(C)C(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)13(16)12(15(8)11(3)4)9-17-14(5,6)7/h10-12H,9H2,1-8H3/t12-/m1/s1
InChIKeyFKCSFKVRVNRUPL-GFCCVEGCSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds6

About (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one

(2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one (PubChem CID 153494756) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one.

Molecular Properties

Compound Name(2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one
PubChem CID153494756
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one
SMILESCC(C)C(=O)[C@@H](COC(C)(C)C)N(C)C(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)13(16)12(15(8)11(3)4)9-17-14(5,6)7/h10-12H,9H2,1-8H3/t12-/m1/s1
InChIKeyFKCSFKVRVNRUPL-GFCCVEGCSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The IUPAC name of (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one (CID 153494756) is (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one.
What is the SMILES notation for (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The canonical SMILES for (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one is CC(C)C(=O)[C@@H](COC(C)(C)C)N(C)C(C)C.
What is the InChIKey of (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The InChIKey is FKCSFKVRVNRUPL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)13(16)12(15(8)11(3)4)9-17-14(5,6)7/h10-12H,9H2,1-8H3/t12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one?
(2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one has a molecular weight of 243.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[methyl(propan-2-yl)amino]-1-[(2-methylpropan-2-yl)oxy]pentan-3-one is sourced from PubChem (CID 153494756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).