N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide

C17H18INO4 — CID 23258951

IUPACN-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide
SMILESCOc1cc(I)c(C(O)CNC=O)cc1OCc1ccccc1
InChIInChI=1S/C17H18INO4/c1-22-16-8-14(18)13(15(21)9-19-11-20)7-17(16)23-10-12-5-3-2-4-6-12/h2-8,11,15,21H,9-10H2,1H3,(H,19,20)
InChIKeyXRCOUPBGGHKBDT-UHFFFAOYSA-N
MW427.24 g/mol
LogP2.66
Rot. Bonds8

About N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide

N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide (PubChem CID 23258951) has the molecular formula C17H18INO4 and a molecular weight of 427.24 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide
PubChem CID23258951
Molecular FormulaC17H18INO4
Molecular Weight427.24 g/mol
Exact Mass427.03
IUPAC NameN-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide
SMILESCOc1cc(I)c(C(O)CNC=O)cc1OCc1ccccc1
InChIInChI=1S/C17H18INO4/c1-22-16-8-14(18)13(15(21)9-19-11-20)7-17(16)23-10-12-5-3-2-4-6-12/h2-8,11,15,21H,9-10H2,1H3,(H,19,20)
InChIKeyXRCOUPBGGHKBDT-UHFFFAOYSA-N
XLogP2.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide
CID 561349
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene
CID 90921547
1-(2,2-dimethoxyethyl)-2-iodo-5-methoxy-4-phenylmethoxybenzene
CID 15240745
3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71658250
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-(2-methoxy-4-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;N-methylformamide
CID 21397706
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide?
The IUPAC name of N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide (CID 23258951) is N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide?
The canonical SMILES for N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide is COc1cc(I)c(C(O)CNC=O)cc1OCc1ccccc1.
What is the InChIKey of N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide?
The InChIKey is XRCOUPBGGHKBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO4/c1-22-16-8-14(18)13(15(21)9-19-11-20)7-17(16)23-10-12-5-3-2-4-6-12/h2-8,11,15,21H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide?
N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide has a molecular weight of 427.24 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide is sourced from PubChem (CID 23258951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).