N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide

C15H24N2O2S — CID 60687494

IUPACN-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCNCC(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C15H24N2O2S/c1-2-7-16-10-15(18)17(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h4,6,9,13,16H,2-3,5,7-8,10-12H2,1H3
InChIKeyTVEIUMUINNYPOX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide

N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 60687494) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID60687494
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCNCC(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C15H24N2O2S/c1-2-7-16-10-15(18)17(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h4,6,9,13,16H,2-3,5,7-8,10-12H2,1H3
InChIKeyTVEIUMUINNYPOX-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
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
N-benzyl-2-[[(2R)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 7264489
2-amino-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pentanamide
CID 60936821
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 55456224
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 60687494) is N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide is CCCNCC(=O)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is TVEIUMUINNYPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-7-16-10-15(18)17(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h4,6,9,13,16H,2-3,5,7-8,10-12H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide?
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 60687494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).