3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide

C13H26N2O2 — CID 54917416

IUPAC3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
SMILESCC(C)(C)NCCC(=O)NCCC1CCCO1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)15-9-7-12(16)14-8-6-11-5-4-10-17-11/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyKKFGVYJPCMDHKH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds6

About 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide

3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide (PubChem CID 54917416) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
PubChem CID54917416
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
SMILESCC(C)(C)NCCC(=O)NCCC1CCCO1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)15-9-7-12(16)14-8-6-11-5-4-10-17-11/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyKKFGVYJPCMDHKH-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
2,2-dimethyl-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 65302675
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
5-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 82011608
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide (CID 54917416) is 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide is CC(C)(C)NCCC(=O)NCCC1CCCO1.
What is the InChIKey of 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is KKFGVYJPCMDHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)15-9-7-12(16)14-8-6-11-5-4-10-17-11/h11,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide?
3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 54917416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).