N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide

C27H32N2O7 — CID 162676107

IUPACN-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide
SMILESO=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(OCCN4CCCC4)cc3)oc2c1)NO
InChIInChI=1S/C27H32N2O7/c30-22-16-21(34-14-5-1-2-6-26(32)28-33)17-25-27(22)23(31)18-24(36-25)19-7-9-20(10-8-19)35-15-13-29-11-3-4-12-29/h7-10,16-18,30,33H,1-6,11-15H2,(H,28,32)
InChIKeyPTLTWXZCNRZPIP-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.08
Rot. Bonds12

About N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide

N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide (PubChem CID 162676107) has the molecular formula C27H32N2O7 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide
PubChem CID162676107
Molecular FormulaC27H32N2O7
Molecular Weight496.56 g/mol
Exact Mass496.22
IUPAC NameN-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide
SMILESO=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(OCCN4CCCC4)cc3)oc2c1)NO
InChIInChI=1S/C27H32N2O7/c30-22-16-21(34-14-5-1-2-6-26(32)28-33)17-25-27(22)23(31)18-24(36-25)19-7-9-20(10-8-19)35-15-13-29-11-3-4-12-29/h7-10,16-18,30,33H,1-6,11-15H2,(H,28,32)
InChIKeyPTLTWXZCNRZPIP-UHFFFAOYSA-N
XLogP4.08
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide?
The IUPAC name of N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide (CID 162676107) is N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide.
What is the SMILES notation for N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide?
The canonical SMILES for N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide is O=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(OCCN4CCCC4)cc3)oc2c1)NO.
What is the InChIKey of N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide?
The InChIKey is PTLTWXZCNRZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O7/c30-22-16-21(34-14-5-1-2-6-26(32)28-33)17-25-27(22)23(31)18-24(36-25)19-7-9-20(10-8-19)35-15-13-29-11-3-4-12-29/h7-10,16-18,30,33H,1-6,11-15H2,(H,28,32).
What are the key properties of N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide?
N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide has a molecular weight of 496.56 g/mol, XLogP of 4.08, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide is sourced from PubChem (CID 162676107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).