N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide

C21H26N2O5 — CID 87039475

IUPACN'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
SMILESO=C(NCCCOCc1ccco1)C(=O)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C21H26N2O5/c24-20(22-12-6-13-26-15-17-9-5-14-27-17)21(25)23-18-10-3-4-11-19(18)28-16-7-1-2-8-16/h3-5,9-11,14,16H,1-2,6-8,12-13,15H2,(H,22,24)(H,23,25)
InChIKeyWCNYLBQKIQSJRA-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.26
Rot. Bonds9

About N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide

N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide (PubChem CID 87039475) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
PubChem CID87039475
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
SMILESO=C(NCCCOCc1ccco1)C(=O)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C21H26N2O5/c24-20(22-12-6-13-26-15-17-9-5-14-27-17)21(25)23-18-10-3-4-11-19(18)28-16-7-1-2-8-16/h3-5,9-11,14,16H,1-2,6-8,12-13,15H2,(H,22,24)(H,23,25)
InChIKeyWCNYLBQKIQSJRA-UHFFFAOYSA-N
XLogP3.26
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 86996640
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 86996641
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea
CID 8563922
N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
CID 86996645
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 47049339
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide?
The IUPAC name of N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide (CID 87039475) is N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide.
What is the SMILES notation for N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide?
The canonical SMILES for N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide is O=C(NCCCOCc1ccco1)C(=O)Nc1ccccc1OC1CCCC1.
What is the InChIKey of N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide?
The InChIKey is WCNYLBQKIQSJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c24-20(22-12-6-13-26-15-17-9-5-14-27-17)21(25)23-18-10-3-4-11-19(18)28-16-7-1-2-8-16/h3-5,9-11,14,16H,1-2,6-8,12-13,15H2,(H,22,24)(H,23,25).
What are the key properties of N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide?
N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide has a molecular weight of 386.45 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide is sourced from PubChem (CID 87039475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).