3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide

C13H26N2O3 — CID 104761520

IUPAC3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
SMILESCOC1(CNC(=O)CCNC(C)(C)C)CCOC1
InChIInChI=1S/C13H26N2O3/c1-12(2,3)15-7-5-11(16)14-9-13(17-4)6-8-18-10-13/h15H,5-10H2,1-4H3,(H,14,16)
InChIKeyHUUCRGFMMUTJKO-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.69
Rot. Bonds6

About 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide

3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide (PubChem CID 104761520) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
PubChem CID104761520
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
SMILESCOC1(CNC(=O)CCNC(C)(C)C)CCOC1
InChIInChI=1S/C13H26N2O3/c1-12(2,3)15-7-5-11(16)14-9-13(17-4)6-8-18-10-13/h15H,5-10H2,1-4H3,(H,14,16)
InChIKeyHUUCRGFMMUTJKO-UHFFFAOYSA-N
XLogP0.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide
CID 104761461
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
CID 104764443
4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
CID 104761558
N-[(3-methoxyoxolan-3-yl)methyl]-3-piperidin-3-ylpropanamide
CID 104761551
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537472

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide (CID 104761520) is 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide is COC1(CNC(=O)CCNC(C)(C)C)CCOC1.
What is the InChIKey of 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The InChIKey is HUUCRGFMMUTJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)15-7-5-11(16)14-9-13(17-4)6-8-18-10-13/h15H,5-10H2,1-4H3,(H,14,16).
What are the key properties of 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 104761520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).