N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide

C20H20N2O4 — CID 90915047

IUPACN-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide
SMILESO=C(Cc1ccn(Cc2ccc(OCc3ccccc3)cc2)c1O)NO
InChIInChI=1S/C20H20N2O4/c23-19(21-25)12-17-10-11-22(20(17)24)13-15-6-8-18(9-7-15)26-14-16-4-2-1-3-5-16/h1-11,24-25H,12-14H2,(H,21,23)
InChIKeyWQZAXADHWYPBIC-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.87
Rot. Bonds7

About N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide

N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide (PubChem CID 90915047) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide
PubChem CID90915047
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide
SMILESO=C(Cc1ccn(Cc2ccc(OCc3ccccc3)cc2)c1O)NO
InChIInChI=1S/C20H20N2O4/c23-19(21-25)12-17-10-11-22(20(17)24)13-15-6-8-18(9-7-15)26-14-16-4-2-1-3-5-16/h1-11,24-25H,12-14H2,(H,21,23)
InChIKeyWQZAXADHWYPBIC-UHFFFAOYSA-N
XLogP2.87
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.87
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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Related Compounds

3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
2-chloro-N-[4-(phenoxymethyl)phenyl]acetamide
CID 82108856
2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
CID 18360225
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine
CID 79091447
4-phenylmethoxybenzoic acid
CID 68896574

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide (CID 90915047) is N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide is O=C(Cc1ccn(Cc2ccc(OCc3ccccc3)cc2)c1O)NO.
What is the InChIKey of N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide?
The InChIKey is WQZAXADHWYPBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(21-25)12-17-10-11-22(20(17)24)13-15-6-8-18(9-7-15)26-14-16-4-2-1-3-5-16/h1-11,24-25H,12-14H2,(H,21,23).
What are the key properties of N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide?
N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide is sourced from PubChem (CID 90915047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).