N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide

C19H22INO4 — CID 11026837

IUPACN-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide
SMILESCOc1ccc(I)c(CCC(=O)NCCc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C19H22INO4/c1-24-15-5-6-16(20)14(12-15)4-8-19(23)21-10-9-13-3-7-18(25-2)17(22)11-13/h3,5-7,11-12,22H,4,8-10H2,1-2H3,(H,21,23)
InChIKeyKBKCPEVRFQDDPQ-UHFFFAOYSA-N
MW455.29 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide

N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide (PubChem CID 11026837) has the molecular formula C19H22INO4 and a molecular weight of 455.29 g/mol. Its IUPAC name is N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide
PubChem CID11026837
Molecular FormulaC19H22INO4
Molecular Weight455.29 g/mol
Exact Mass455.06
IUPAC NameN-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide
SMILESCOc1ccc(I)c(CCC(=O)NCCc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C19H22INO4/c1-24-15-5-6-16(20)14(12-15)4-8-19(23)21-10-9-13-3-7-18(25-2)17(22)11-13/h3,5-7,11-12,22H,4,8-10H2,1-2H3,(H,21,23)
InChIKeyKBKCPEVRFQDDPQ-UHFFFAOYSA-N
XLogP3.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
CID 82110100
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38501975
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
CID 22292772

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide (CID 11026837) is N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide is COc1ccc(I)c(CCC(=O)NCCc2ccc(OC)c(O)c2)c1.
What is the InChIKey of N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide?
The InChIKey is KBKCPEVRFQDDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO4/c1-24-15-5-6-16(20)14(12-15)4-8-19(23)21-10-9-13-3-7-18(25-2)17(22)11-13/h3,5-7,11-12,22H,4,8-10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide?
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide has a molecular weight of 455.29 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide is sourced from PubChem (CID 11026837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).