N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide

C12H24N2O2 — CID 115749017

IUPACN,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
SMILESCNC(=O)C(C)(C)CNCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,11(15)13-3)9-14-8-10-4-6-16-7-5-10/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyIOUJPPYRFAUUKE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.77
Rot. Bonds5

About N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide

N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide (PubChem CID 115749017) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
PubChem CID115749017
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
SMILESCNC(=O)C(C)(C)CNCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,11(15)13-3)9-14-8-10-4-6-16-7-5-10/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyIOUJPPYRFAUUKE-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106277044
N,2,2-trimethyl-3-(oxolan-2-ylmethylamino)propanamide
CID 106275769
N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
CID 115888011
methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
CID 104644498
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
2,2-dimethyl-3-(oxan-4-ylmethylamino)propanenitrile
CID 104587192
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
CID 115763283
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,2,2-trimethylpropanamide
CID 103824427
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
N-(2-amino-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 110834377

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide (CID 115749017) is N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide is CNC(=O)C(C)(C)CNCC1CCOCC1.
What is the InChIKey of N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide?
The InChIKey is IOUJPPYRFAUUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,11(15)13-3)9-14-8-10-4-6-16-7-5-10/h10,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide?
N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide is sourced from PubChem (CID 115749017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).