N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide

C29H33N3O5 — CID 155512881

IUPACN-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide
SMILESCOc1ccccc1N(Cc1cccc(NC(=O)Cc2ccccc2)c1)C(=O)CCCCCC(=O)NO
InChIInChI=1S/C29H33N3O5/c1-37-26-16-9-8-15-25(26)32(29(35)18-7-3-6-17-27(33)31-36)21-23-13-10-14-24(19-23)30-28(34)20-22-11-4-2-5-12-22/h2,4-5,8-16,19,36H,3,6-7,17-18,20-21H2,1H3,(H,30,34)(H,31,33)
InChIKeyOCHZCXDIEKBKHV-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.87
Rot. Bonds13

About N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide

N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide (PubChem CID 155512881) has the molecular formula C29H33N3O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide
PubChem CID155512881
Molecular FormulaC29H33N3O5
Molecular Weight503.60 g/mol
Exact Mass503.24
IUPAC NameN-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide
SMILESCOc1ccccc1N(Cc1cccc(NC(=O)Cc2ccccc2)c1)C(=O)CCCCCC(=O)NO
InChIInChI=1S/C29H33N3O5/c1-37-26-16-9-8-15-25(26)32(29(35)18-7-3-6-17-27(33)31-36)21-23-13-10-14-24(19-23)30-28(34)20-22-11-4-2-5-12-22/h2,4-5,8-16,19,36H,3,6-7,17-18,20-21H2,1H3,(H,30,34)(H,31,33)
InChIKeyOCHZCXDIEKBKHV-UHFFFAOYSA-N
XLogP4.87
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide?
The IUPAC name of N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide (CID 155512881) is N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide.
What is the SMILES notation for N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide?
The canonical SMILES for N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide is COc1ccccc1N(Cc1cccc(NC(=O)Cc2ccccc2)c1)C(=O)CCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide?
The InChIKey is OCHZCXDIEKBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O5/c1-37-26-16-9-8-15-25(26)32(29(35)18-7-3-6-17-27(33)31-36)21-23-13-10-14-24(19-23)30-28(34)20-22-11-4-2-5-12-22/h2,4-5,8-16,19,36H,3,6-7,17-18,20-21H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide?
N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide has a molecular weight of 503.60 g/mol, XLogP of 4.87, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(2-methoxyphenyl)-N'-[[3-[(2-phenylacetyl)amino]phenyl]methyl]heptanediamide is sourced from PubChem (CID 155512881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).