2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide

C12H24N2O2 — CID 63711162

IUPAC2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)14-12(15)10(3)13-8-11-4-6-16-7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyUOJSNFXVEFWWBM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds5

About 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide

2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide (PubChem CID 63711162) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
PubChem CID63711162
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)14-12(15)10(3)13-8-11-4-6-16-7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyUOJSNFXVEFWWBM-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 55210335
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide
CID 55013491
N,4-dimethyl-2-(oxan-4-ylmethylamino)pentanamide
CID 55065982
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115581038
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide
CID 106132906
2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
CID 63706504

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide (CID 63711162) is 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide?
The InChIKey is UOJSNFXVEFWWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14-12(15)10(3)13-8-11-4-6-16-7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide?
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 63711162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).