N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide

C14H21IN2O2 — CID 119524592

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
SMILESCC(C)(CN)NC(=O)CCCOc1ccc(I)cc1
InChIInChI=1S/C14H21IN2O2/c1-14(2,10-16)17-13(18)4-3-9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyUPTQLFRVXHALIK-UHFFFAOYSA-N
MW376.24 g/mol
LogP2.30
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide

N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide (PubChem CID 119524592) has the molecular formula C14H21IN2O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
PubChem CID119524592
Molecular FormulaC14H21IN2O2
Molecular Weight376.24 g/mol
Exact Mass376.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
SMILESCC(C)(CN)NC(=O)CCCOc1ccc(I)cc1
InChIInChI=1S/C14H21IN2O2/c1-14(2,10-16)17-13(18)4-3-9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyUPTQLFRVXHALIK-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 119522166
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide
CID 115968838
3-methyl-3-[4-(4-methylphenoxy)butanoylamino]butanoic acid
CID 64671666
[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite
CID 146357651
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
CID 119605954
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide (CID 119524592) is N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide is CC(C)(CN)NC(=O)CCCOc1ccc(I)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide?
The InChIKey is UPTQLFRVXHALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O2/c1-14(2,10-16)17-13(18)4-3-9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide?
N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide has a molecular weight of 376.24 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide is sourced from PubChem (CID 119524592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).