1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide

C15H25IN2O3 — CID 143188264

IUPAC1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide
SMILESCCCCCCCOc1ccc(NC(=O)I(N)CO)cc1
InChIInChI=1S/C15H25IN2O3/c1-2-3-4-5-6-11-21-14-9-7-13(8-10-14)18-15(20)16(17)12-19/h7-10,19H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyFEAFBNQZWVKLFZ-UHFFFAOYSA-N
MW408.28 g/mol
LogP3.90
Rot. Bonds10

About 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide

1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide (PubChem CID 143188264) has the molecular formula C15H25IN2O3 and a molecular weight of 408.28 g/mol. Its IUPAC name is 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide.

Molecular Properties

Compound Name1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide
PubChem CID143188264
Molecular FormulaC15H25IN2O3
Molecular Weight408.28 g/mol
Exact Mass408.09
IUPAC Name1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide
SMILESCCCCCCCOc1ccc(NC(=O)I(N)CO)cc1
InChIInChI=1S/C15H25IN2O3/c1-2-3-4-5-6-11-21-14-9-7-13(8-10-14)18-15(20)16(17)12-19/h7-10,19H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyFEAFBNQZWVKLFZ-UHFFFAOYSA-N
XLogP3.90
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 143303175
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N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
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2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
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pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 71261026
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
CID 82344339

Frequently Asked Questions

What is the IUPAC name of 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide?
The IUPAC name of 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide (CID 143188264) is 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide.
What is the SMILES notation for 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide?
The canonical SMILES for 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide is CCCCCCCOc1ccc(NC(=O)I(N)CO)cc1.
What is the InChIKey of 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide?
The InChIKey is FEAFBNQZWVKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25IN2O3/c1-2-3-4-5-6-11-21-14-9-7-13(8-10-14)18-15(20)16(17)12-19/h7-10,19H,2-6,11-12,17H2,1H3,(H,18,20).
What are the key properties of 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide?
1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide has a molecular weight of 408.28 g/mol, XLogP of 3.90, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(hydroxymethyl)-λ3-iodanyl]-N-(4-heptoxyphenyl)formamide is sourced from PubChem (CID 143188264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).