3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide

C14H21IN2O — CID 108795422

IUPAC3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H21IN2O/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyVPRIZQHJAOPBBK-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.35
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide

3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide (PubChem CID 108795422) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
PubChem CID108795422
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H21IN2O/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyVPRIZQHJAOPBBK-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
CID 171154590
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954498
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide (CID 108795422) is 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide is CCCCN(C)CCC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide?
The InChIKey is VPRIZQHJAOPBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide?
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide has a molecular weight of 360.24 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 108795422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).