N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide

C12H24N2O2 — CID 109016044

IUPACN-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCC1CCCO1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-11(15)6-7-13-9-10-5-4-8-16-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyGETQVUHAAWUVEO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds5

About N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide

N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide (PubChem CID 109016044) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
PubChem CID109016044
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCC1CCCO1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-11(15)6-7-13-9-10-5-4-8-16-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyGETQVUHAAWUVEO-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-(oxan-2-ylmethylamino)acetamide
CID 60697952
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119691955
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
N-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
N-(2-methylbutan-2-yl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014424
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072
N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016078
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
N-tert-butyl-2-[2-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17290299

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide (CID 109016044) is N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide is CC(C)(C)NC(=O)CCNCC1CCCO1.
What is the InChIKey of N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide?
The InChIKey is GETQVUHAAWUVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)14-11(15)6-7-13-9-10-5-4-8-16-10/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide?
N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109016044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).