N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide

C12H16INO2 — CID 114504420

IUPACN-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCCI)c1
InChIInChI=1S/C12H16INO2/c1-16-11-5-2-4-10(8-11)9-12(15)14-7-3-6-13/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)
InChIKeyZAIYLJWEWHDGQU-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.18
Rot. Bonds6

About N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide

N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 114504420) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
PubChem CID114504420
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCCI)c1
InChIInChI=1S/C12H16INO2/c1-16-11-5-2-4-10(8-11)9-12(15)14-7-3-6-13/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)
InChIKeyZAIYLJWEWHDGQU-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid
CID 62033755
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
N-[3-(N-ethylanilino)propyl]-2-(3-methoxyphenyl)acetamide
CID 18118732
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 38002281
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide (CID 114504420) is N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCCCI)c1.
What is the InChIKey of N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is ZAIYLJWEWHDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-16-11-5-2-4-10(8-11)9-12(15)14-7-3-6-13/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15).
What are the key properties of N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide?
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 333.17 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 114504420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).