N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide

C15H24N2O3S — CID 81121283

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCOC2CCC(N)CC2)c1
InChIInChI=1S/C15H24N2O3S/c1-19-13-9-14(21-10-13)15(18)17-7-2-8-20-12-5-3-11(16)4-6-12/h9-12H,2-8,16H2,1H3,(H,17,18)
InChIKeyJDXONOVGUFBLQM-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.16
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide

N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide (PubChem CID 81121283) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide
PubChem CID81121283
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCOC2CCC(N)CC2)c1
InChIInChI=1S/C15H24N2O3S/c1-19-13-9-14(21-10-13)15(18)17-7-2-8-20-12-5-3-11(16)4-6-12/h9-12H,2-8,16H2,1H3,(H,17,18)
InChIKeyJDXONOVGUFBLQM-UHFFFAOYSA-N
XLogP2.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
CID 63870819
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 113258486
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide (CID 81121283) is N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCCCOC2CCC(N)CC2)c1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is JDXONOVGUFBLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-19-13-9-14(21-10-13)15(18)17-7-2-8-20-12-5-3-11(16)4-6-12/h9-12H,2-8,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81121283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).