N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide

C13H25IN2O3 — CID 170007814

IUPACN-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
SMILESCC(I)OCC(=O)NCCCCCNC(=O)C(C)C
InChIInChI=1S/C13H25IN2O3/c1-10(2)13(18)16-8-6-4-5-7-15-12(17)9-19-11(3)14/h10-11H,4-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyPOSUCEQDMSWSLR-UHFFFAOYSA-N
MW384.26 g/mol
LogP1.84
Rot. Bonds10

About N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide

N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide (PubChem CID 170007814) has the molecular formula C13H25IN2O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
PubChem CID170007814
Molecular FormulaC13H25IN2O3
Molecular Weight384.26 g/mol
Exact Mass384.09
IUPAC NameN-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
SMILESCC(I)OCC(=O)NCCCCCNC(=O)C(C)C
InChIInChI=1S/C13H25IN2O3/c1-10(2)13(18)16-8-6-4-5-7-15-12(17)9-19-11(3)14/h10-11H,4-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyPOSUCEQDMSWSLR-UHFFFAOYSA-N
XLogP1.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 170007577
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
CID 157048781
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
N-(4-aminobutyl)-2-propan-2-yloxyacetamide
CID 112601737
2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide
CID 161489281
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide?
The IUPAC name of N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide (CID 170007814) is N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide is CC(I)OCC(=O)NCCCCCNC(=O)C(C)C.
What is the InChIKey of N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide?
The InChIKey is POSUCEQDMSWSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IN2O3/c1-10(2)13(18)16-8-6-4-5-7-15-12(17)9-19-11(3)14/h10-11H,4-9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide?
N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide has a molecular weight of 384.26 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide is sourced from PubChem (CID 170007814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).