2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide

C13H28N2O2 — CID 64709010

IUPAC2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)OC(C)(C)C)C(N)=O
InChIInChI=1S/C13H28N2O2/c1-7-8-15-13(6,11(14)16)9-10(2)17-12(3,4)5/h10,15H,7-9H2,1-6H3,(H2,14,16)
InChIKeyKZJBESRSYPRMLX-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.82
Rot. Bonds7

About 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide

2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide (PubChem CID 64709010) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
PubChem CID64709010
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)OC(C)(C)C)C(N)=O
InChIInChI=1S/C13H28N2O2/c1-7-8-15-13(6,11(14)16)9-10(2)17-12(3,4)5/h10,15H,7-9H2,1-6H3,(H2,14,16)
InChIKeyKZJBESRSYPRMLX-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666691
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
2-(ethylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanamide
CID 64705904
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
CID 64711997
4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 64706836
4-(3-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)pentanamide
CID 64719823
2-(ethylamino)-2-methyl-4-propoxypentanamide
CID 64708736
2-methyl-4-pentan-2-yloxy-2-(propylamino)butanamide
CID 102984400
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
CID 64707747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide?
The IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide (CID 64709010) is 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide.
What is the SMILES notation for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide?
The canonical SMILES for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide is CCCNC(C)(CC(C)OC(C)(C)C)C(N)=O.
What is the InChIKey of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide?
The InChIKey is KZJBESRSYPRMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-8-15-13(6,11(14)16)9-10(2)17-12(3,4)5/h10,15H,7-9H2,1-6H3,(H2,14,16).
What are the key properties of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide?
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide is sourced from PubChem (CID 64709010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).