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

C28H31ClN2O4 — CID 5226008

IUPACN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(C(=O)COc1ccc(Cl)cc1)C1CCCCC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C28H31ClN2O4/c29-23-13-15-25(16-14-23)35-21-28(33)31(24-10-5-2-6-11-24)20-27(32)30(19-26-12-7-17-34-26)18-22-8-3-1-4-9-22/h1,3-4,7-9,12-17,24H,2,5-6,10-11,18-21H2
InChIKeyZVQWLGHZRIGQKD-UHFFFAOYSA-N
MW495.02 g/mol
LogP5.70
Rot. Bonds10

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

N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 5226008) has the molecular formula C28H31ClN2O4 and a molecular weight of 495.02 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID5226008
Molecular FormulaC28H31ClN2O4
Molecular Weight495.02 g/mol
Exact Mass494.20
IUPAC NameN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(C(=O)COc1ccc(Cl)cc1)C1CCCCC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C28H31ClN2O4/c29-23-13-15-25(16-14-23)35-21-28(33)31(24-10-5-2-6-11-24)20-27(32)30(19-26-12-7-17-34-26)18-22-8-3-1-4-9-22/h1,3-4,7-9,12-17,24H,2,5-6,10-11,18-21H2
InChIKeyZVQWLGHZRIGQKD-UHFFFAOYSA-N
XLogP5.70
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.02
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
CID 71801512
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 4588626
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide
CID 5013111
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857
N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide
CID 1058441
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylpentanamide
CID 3955195
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 N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide (CID 5226008) is N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide is O=C(CN(C(=O)COc1ccc(Cl)cc1)C1CCCCC1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZVQWLGHZRIGQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O4/c29-23-13-15-25(16-14-23)35-21-28(33)31(24-10-5-2-6-11-24)20-27(32)30(19-26-12-7-17-34-26)18-22-8-3-1-4-9-22/h1,3-4,7-9,12-17,24H,2,5-6,10-11,18-21H2.
What are the key properties of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 495.02 g/mol, XLogP of 5.70, 10 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]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5226008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).