2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide

C18H20ClNO4 — CID 71801512

IUPAC2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1ccco1)C1CCOCC1
InChIInChI=1S/C18H20ClNO4/c19-14-3-5-16(6-4-14)24-13-18(21)20(12-17-2-1-9-23-17)15-7-10-22-11-8-15/h1-6,9,15H,7-8,10-13H2
InChIKeyCKGDSRBJXFTBFP-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.52
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide

2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide (PubChem CID 71801512) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
PubChem CID71801512
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1ccco1)C1CCOCC1
InChIInChI=1S/C18H20ClNO4/c19-14-3-5-16(6-4-14)24-13-18(21)20(12-17-2-1-9-23-17)15-7-10-22-11-8-15/h1-6,9,15H,7-8,10-13H2
InChIKeyCKGDSRBJXFTBFP-UHFFFAOYSA-N
XLogP3.52
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 35181974
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
CID 5226008
2-(2-aminophenoxy)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 61107416
N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
CID 121131349
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 42773375
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211275
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide
CID 121131308
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 5437642
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 9380986
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide (CID 71801512) is 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide is O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)C1CCOCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide?
The InChIKey is CKGDSRBJXFTBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c19-14-3-5-16(6-4-14)24-13-18(21)20(12-17-2-1-9-23-17)15-7-10-22-11-8-15/h1-6,9,15H,7-8,10-13H2.
What are the key properties of 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide?
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide has a molecular weight of 349.81 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 71801512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).