N-[3-(tert-butylamino)propyl]-3-iodobenzamide

C14H21IN2O — CID 8699243

IUPACN-[3-(tert-butylamino)propyl]-3-iodobenzamide
SMILESCC(C)(C)NCCCNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyYKQSWTFGSUNNEI-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.80
Rot. Bonds5

About N-[3-(tert-butylamino)propyl]-3-iodobenzamide

N-[3-(tert-butylamino)propyl]-3-iodobenzamide (PubChem CID 8699243) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[3-(tert-butylamino)propyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)propyl]-3-iodobenzamide
PubChem CID8699243
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC NameN-[3-(tert-butylamino)propyl]-3-iodobenzamide
SMILESCC(C)(C)NCCCNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyYKQSWTFGSUNNEI-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)propyl]-3-iodobenzamide?
The IUPAC name of N-[3-(tert-butylamino)propyl]-3-iodobenzamide (CID 8699243) is N-[3-(tert-butylamino)propyl]-3-iodobenzamide.
What is the SMILES notation for N-[3-(tert-butylamino)propyl]-3-iodobenzamide?
The canonical SMILES for N-[3-(tert-butylamino)propyl]-3-iodobenzamide is CC(C)(C)NCCCNC(=O)c1cccc(I)c1.
What is the InChIKey of N-[3-(tert-butylamino)propyl]-3-iodobenzamide?
The InChIKey is YKQSWTFGSUNNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(tert-butylamino)propyl]-3-iodobenzamide?
N-[3-(tert-butylamino)propyl]-3-iodobenzamide has a molecular weight of 360.24 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)propyl]-3-iodobenzamide is sourced from PubChem (CID 8699243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).