N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide

C15H24N2O2S — CID 63870819

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
SMILESNC1CCC(OCCCNC(=O)Cc2cccs2)CC1
InChIInChI=1S/C15H24N2O2S/c16-12-4-6-13(7-5-12)19-9-2-8-17-15(18)11-14-3-1-10-20-14/h1,3,10,12-13H,2,4-9,11,16H2,(H,17,18)
InChIKeyUNAWNVWPQKKKQR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.08
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide (PubChem CID 63870819) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
PubChem CID63870819
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
SMILESNC1CCC(OCCCNC(=O)Cc2cccs2)CC1
InChIInChI=1S/C15H24N2O2S/c16-12-4-6-13(7-5-12)19-9-2-8-17-15(18)11-14-3-1-10-20-14/h1,3,10,12-13H,2,4-9,11,16H2,(H,17,18)
InChIKeyUNAWNVWPQKKKQR-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
ethyl 3-[3-[(2-thiophen-2-ylacetyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58346879
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
CID 63871144
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-(3-piperidin-4-yloxypropyl)thiophene-2-carboxamide
CID 63870121
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
CID 112603398
N-[1-(3-cyclohexyloxypropylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613206
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide (CID 63870819) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide is NC1CCC(OCCCNC(=O)Cc2cccs2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide?
The InChIKey is UNAWNVWPQKKKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c16-12-4-6-13(7-5-12)19-9-2-8-17-15(18)11-14-3-1-10-20-14/h1,3,10,12-13H,2,4-9,11,16H2,(H,17,18).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide has a molecular weight of 296.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 63870819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).