3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide

C9H19IN2O2 — CID 170371515

IUPAC3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
SMILESCC(C)OCCN(C)C(=O)CCNI
InChIInChI=1S/C9H19IN2O2/c1-8(2)14-7-6-12(3)9(13)4-5-11-10/h8,11H,4-7H2,1-3H3
InChIKeyUKBWPCQYGKDGIP-UHFFFAOYSA-N
MW314.17 g/mol
LogP1.20
Rot. Bonds7

About 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide

3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide (PubChem CID 170371515) has the molecular formula C9H19IN2O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
PubChem CID170371515
Molecular FormulaC9H19IN2O2
Molecular Weight314.17 g/mol
Exact Mass314.05
IUPAC Name3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
SMILESCC(C)OCCN(C)C(=O)CCNI
InChIInChI=1S/C9H19IN2O2/c1-8(2)14-7-6-12(3)9(13)4-5-11-10/h8,11H,4-7H2,1-3H3
InChIKeyUKBWPCQYGKDGIP-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-propan-2-yloxy-N-(2-propan-2-yloxyethyl)hexanamide
CID 167520219
N-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 81056033
7-amino-N-methyl-N-(2-propan-2-yloxyethyl)heptanamide
CID 81056335
N-(2-methoxyethyl)-N-methyl-4-propan-2-yloxybutanamide
CID 167520317
N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81056168
N-methyl-N-(2-methylpropyl)-3-propan-2-yloxypropanamide
CID 164715630
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43254229

Frequently Asked Questions

What is the IUPAC name of 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide?
The IUPAC name of 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide (CID 170371515) is 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide.
What is the SMILES notation for 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide?
The canonical SMILES for 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide is CC(C)OCCN(C)C(=O)CCNI.
What is the InChIKey of 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide?
The InChIKey is UKBWPCQYGKDGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IN2O2/c1-8(2)14-7-6-12(3)9(13)4-5-11-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide?
3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide has a molecular weight of 314.17 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide is sourced from PubChem (CID 170371515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).