3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide

C14H28N2O2 — CID 114115155

IUPAC3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCNC(C)(C)C)C1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-11(12-6-9-18-10-7-12)16-13(17)5-8-15-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyKFXFAWQYQDMYHN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds5

About 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide

3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide (PubChem CID 114115155) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
PubChem CID114115155
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCNC(C)(C)C)C1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-11(12-6-9-18-10-7-12)16-13(17)5-8-15-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyKFXFAWQYQDMYHN-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797662
6-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]hexanamide
CID 114115149
5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid
CID 114115295
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
N-(1-cyclopropylethyl)-3-(ethylamino)propanamide
CID 62831403
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
2-methoxy-2-methyl-N-[1-(oxan-4-yl)ethyl]propanamide
CID 103769337
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide
CID 107093451

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide (CID 114115155) is 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide is CC(NC(=O)CCNC(C)(C)C)C1CCOCC1.
What is the InChIKey of 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide?
The InChIKey is KFXFAWQYQDMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(12-6-9-18-10-7-12)16-13(17)5-8-15-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide?
3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide is sourced from PubChem (CID 114115155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).