2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

C27H28N2O5 — CID 20748512

IUPAC2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2(Cc3ccc(OCc4ccccc4)cc3)CC2C(=O)NO)cc1
InChIInChI=1S/C27H28N2O5/c1-33-22-11-9-20(10-12-22)17-28-26(31)27(16-24(27)25(30)29-32)15-19-7-13-23(14-8-19)34-18-21-5-3-2-4-6-21/h2-14,24,32H,15-18H2,1H3,(H,28,31)(H,29,30)
InChIKeyKDEHGLGPPXXJOP-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.64
Rot. Bonds10

About 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 20748512) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID20748512
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2(Cc3ccc(OCc4ccccc4)cc3)CC2C(=O)NO)cc1
InChIInChI=1S/C27H28N2O5/c1-33-22-11-9-20(10-12-22)17-28-26(31)27(16-24(27)25(30)29-32)15-19-7-13-23(14-8-19)34-18-21-5-3-2-4-6-21/h2-14,24,32H,15-18H2,1H3,(H,28,31)(H,29,30)
InChIKeyKDEHGLGPPXXJOP-UHFFFAOYSA-N
XLogP3.64
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 20748512) is 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is COc1ccc(CNC(=O)C2(Cc3ccc(OCc4ccccc4)cc3)CC2C(=O)NO)cc1.
What is the InChIKey of 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is KDEHGLGPPXXJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-33-22-11-9-20(10-12-22)17-28-26(31)27(16-24(27)25(30)29-32)15-19-7-13-23(14-8-19)34-18-21-5-3-2-4-6-21/h2-14,24,32H,15-18H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.64, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 20748512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).