2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

C13H20N2O2S — CID 54869237

IUPAC2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(N)C(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C13H20N2O2S/c1-10(14)13(16)15(8-11-4-2-6-17-11)9-12-5-3-7-18-12/h3,5,7,10-11H,2,4,6,8-9,14H2,1H3
InChIKeyHLFAVMHTEDFRFB-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 54869237) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID54869237
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(N)C(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C13H20N2O2S/c1-10(14)13(16)15(8-11-4-2-6-17-11)9-12-5-3-7-18-12/h3,5,7,10-11H,2,4,6,8-9,14H2,1H3
InChIKeyHLFAVMHTEDFRFB-UHFFFAOYSA-N
XLogP1.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 116676200
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
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
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299
4-(difluoromethylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55520684

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (CID 54869237) is 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is CC(N)C(=O)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is HLFAVMHTEDFRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(14)13(16)15(8-11-4-2-6-17-11)9-12-5-3-7-18-12/h3,5,7,10-11H,2,4,6,8-9,14H2,1H3.
What are the key properties of 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 268.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 54869237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).