N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide

C15H23IN2O — CID 119630034

IUPACN-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide
SMILESCC(C)(N)CNC(=O)CCCCc1ccc(I)cc1
InChIInChI=1S/C15H23IN2O/c1-15(2,17)11-18-14(19)6-4-3-5-12-7-9-13(16)10-8-12/h7-10H,3-6,11,17H2,1-2H3,(H,18,19)
InChIKeyWVDVLHLGKCOFBN-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.86
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide

N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide (PubChem CID 119630034) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide
PubChem CID119630034
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC NameN-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide
SMILESCC(C)(N)CNC(=O)CCCCc1ccc(I)cc1
InChIInChI=1S/C15H23IN2O/c1-15(2,17)11-18-14(19)6-4-3-5-12-7-9-13(16)10-8-12/h7-10H,3-6,11,17H2,1-2H3,(H,18,19)
InChIKeyWVDVLHLGKCOFBN-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.86
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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Related Compounds

2-[5-(4-iodophenyl)pentanoylamino]acetic acid
CID 119350131
6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide
CID 119500842
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829
tert-butyl N-[2-[4-(4-iodophenyl)butanoylamino]ethyl]carbamate
CID 177072985
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
CID 119406266
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119629648
1-(4-iodophenyl)-6,6-dimethylheptan-4-one
CID 164972566
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide (CID 119630034) is N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide is CC(C)(N)CNC(=O)CCCCc1ccc(I)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide?
The InChIKey is WVDVLHLGKCOFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-15(2,17)11-18-14(19)6-4-3-5-12-7-9-13(16)10-8-12/h7-10H,3-6,11,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide?
N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide has a molecular weight of 374.27 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide is sourced from PubChem (CID 119630034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).