2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide

C12H16IN5O — CID 114083108

IUPAC2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
SMILESCC(NCCCN=[N+]=[N-])(C(N)=O)c1ccc(I)cc1
InChIInChI=1S/C12H16IN5O/c1-12(11(14)19,16-7-2-8-17-18-15)9-3-5-10(13)6-4-9/h3-6,16H,2,7-8H2,1H3,(H2,14,19)
InChIKeyDCIHQOYDXWGZIA-UHFFFAOYSA-N
MW373.20 g/mol
LogP2.28
Rot. Bonds7

About 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide

2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide (PubChem CID 114083108) has the molecular formula C12H16IN5O and a molecular weight of 373.20 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
PubChem CID114083108
Molecular FormulaC12H16IN5O
Molecular Weight373.20 g/mol
Exact Mass373.04
IUPAC Name2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
SMILESCC(NCCCN=[N+]=[N-])(C(N)=O)c1ccc(I)cc1
InChIInChI=1S/C12H16IN5O/c1-12(11(14)19,16-7-2-8-17-18-15)9-3-5-10(13)6-4-9/h3-6,16H,2,7-8H2,1H3,(H2,14,19)
InChIKeyDCIHQOYDXWGZIA-UHFFFAOYSA-N
XLogP2.28
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide
CID 66167212
2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 66165562
2-(3-azidopropylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 66190491
ethyl 2-(3-azidopropylamino)-2-(4-chlorophenyl)propanoate
CID 66188930
2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide
CID 66191641
2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide
CID 83119646
2-(3-azidopropylamino)-2-(2,5-dimethylphenyl)propanoic acid
CID 66190091
2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114832222
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567
2-(4-bromophenyl)-2-(propylamino)propanamide
CID 60795515
ethyl 2-(2-azidoethylamino)-2-(3,4-dimethylphenyl)propanoate
CID 66189056
ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate
CID 66189937

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide (CID 114083108) is 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide is CC(NCCCN=[N+]=[N-])(C(N)=O)c1ccc(I)cc1.
What is the InChIKey of 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide?
The InChIKey is DCIHQOYDXWGZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN5O/c1-12(11(14)19,16-7-2-8-17-18-15)9-3-5-10(13)6-4-9/h3-6,16H,2,7-8H2,1H3,(H2,14,19).
What are the key properties of 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide?
2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide has a molecular weight of 373.20 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide is sourced from PubChem (CID 114083108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).