N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide

C14H21ClN2O3 — CID 63871144

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
SMILESNC1CCC(OCCCNC(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C14H21ClN2O3/c15-13-7-6-12(20-13)14(18)17-8-1-9-19-11-4-2-10(16)3-5-11/h6-7,10-11H,1-5,8-9,16H2,(H,17,18)
InChIKeyQZZSAWIHCCCSOE-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide

N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide (PubChem CID 63871144) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
PubChem CID63871144
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
SMILESNC1CCC(OCCCNC(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C14H21ClN2O3/c15-13-7-6-12(20-13)14(18)17-8-1-9-19-11-4-2-10(16)3-5-11/h6-7,10-11H,1-5,8-9,16H2,(H,17,18)
InChIKeyQZZSAWIHCCCSOE-UHFFFAOYSA-N
XLogP2.34
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.34
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]-4-iodobenzamide
CID 63871820
N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
CID 63871479
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983
5-methyl-N-(3-piperidin-4-yloxypropyl)furan-2-carboxamide
CID 55252129
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
CID 63870819
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
CID 63870800
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide (CID 63871144) is N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide is NC1CCC(OCCCNC(=O)c2ccc(Cl)o2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide?
The InChIKey is QZZSAWIHCCCSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c15-13-7-6-12(20-13)14(18)17-8-1-9-19-11-4-2-10(16)3-5-11/h6-7,10-11H,1-5,8-9,16H2,(H,17,18).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 2.34, 6 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]-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 63871144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).