2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide

C14H28N2O2 — CID 55014476

IUPAC2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCC1CCCCO1
InChIInChI=1S/C14H28N2O2/c1-4-12(5-2)16-14(17)11(3)15-10-13-8-6-7-9-18-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyVSKZISAJOAUULK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.84
Rot. Bonds7

About 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide

2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide (PubChem CID 55014476) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
PubChem CID55014476
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCC1CCCCO1
InChIInChI=1S/C14H28N2O2/c1-4-12(5-2)16-14(17)11(3)15-10-13-8-6-7-9-18-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyVSKZISAJOAUULK-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-(oxan-2-ylmethylamino)propanamide
CID 103108703
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
2-[(2-methylcyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 107417924
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 43086819
N-(oxan-2-ylmethyl)heptan-3-amine
CID 63946719
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
3-(oxan-2-ylmethylamino)butanamide
CID 115676557
2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
CID 106131934
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
2-(oxan-2-ylmethylamino)hexanoic acid
CID 103243520
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide (CID 55014476) is 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide?
The InChIKey is VSKZISAJOAUULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-12(5-2)16-14(17)11(3)15-10-13-8-6-7-9-18-13/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide?
2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 55014476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).