N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide

C26H29ClN2O4 — CID 4161219

IUPACN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C26H29ClN2O4/c1-20(2)15-28(26(31)19-33-23-12-10-22(27)11-13-23)18-25(30)29(17-24-9-6-14-32-24)16-21-7-4-3-5-8-21/h3-14,20H,15-19H2,1-2H3
InChIKeyWNPXJUKSMSHWSV-UHFFFAOYSA-N
MW468.98 g/mol
LogP5.03
Rot. Bonds11

About N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4161219) has the molecular formula C26H29ClN2O4 and a molecular weight of 468.98 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID4161219
Molecular FormulaC26H29ClN2O4
Molecular Weight468.98 g/mol
Exact Mass468.18
IUPAC NameN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C26H29ClN2O4/c1-20(2)15-28(26(31)19-33-23-12-10-22(27)11-13-23)18-25(30)29(17-24-9-6-14-32-24)16-21-7-4-3-5-8-21/h3-14,20H,15-19H2,1-2H3
InChIKeyWNPXJUKSMSHWSV-UHFFFAOYSA-N
XLogP5.03
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.98
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
CID 5226008
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 3547024
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 5437642
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
N-benzyl-2-[2-methylpropyl-(2-phenoxyacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767406
N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4082449
N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3572091
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 4161219) is N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide is CC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WNPXJUKSMSHWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O4/c1-20(2)15-28(26(31)19-33-23-12-10-22(27)11-13-23)18-25(30)29(17-24-9-6-14-32-24)16-21-7-4-3-5-8-21/h3-14,20H,15-19H2,1-2H3.
What are the key properties of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 468.98 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4161219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).