3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

C14H22N2O2S — CID 54869247

IUPAC3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(N)CC(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C14H22N2O2S/c1-11(15)8-14(17)16(9-12-4-2-6-18-12)10-13-5-3-7-19-13/h3,5,7,11-12H,2,4,6,8-10,15H2,1H3
InChIKeyYGYXIFPGWKFKET-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 54869247) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID54869247
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(N)CC(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C14H22N2O2S/c1-11(15)8-14(17)16(9-12-4-2-6-18-12)10-13-5-3-7-19-13/h3,5,7,11-12H,2,4,6,8-10,15H2,1H3
InChIKeyYGYXIFPGWKFKET-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 116676200
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
2-amino-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pentanamide
CID 60936821
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
3-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55567666
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (CID 54869247) is 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is CC(N)CC(=O)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is YGYXIFPGWKFKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(15)8-14(17)16(9-12-4-2-6-18-12)10-13-5-3-7-19-13/h3,5,7,11-12H,2,4,6,8-10,15H2,1H3.
What are the key properties of 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 282.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 54869247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).