6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide

C15H23IN2O — CID 119500842

IUPAC6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide
SMILESCNCCNC(=O)CCCCCc1ccc(I)cc1
InChIInChI=1S/C15H23IN2O/c1-17-11-12-18-15(19)6-4-2-3-5-13-7-9-14(16)10-8-13/h7-10,17H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyVDGOCLRLVOKMTI-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.73
Rot. Bonds9

About 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide

6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide (PubChem CID 119500842) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide.

Molecular Properties

Compound Name6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide
PubChem CID119500842
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC Name6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide
SMILESCNCCNC(=O)CCCCCc1ccc(I)cc1
InChIInChI=1S/C15H23IN2O/c1-17-11-12-18-15(19)6-4-2-3-5-13-7-9-14(16)10-8-13/h7-10,17H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyVDGOCLRLVOKMTI-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.73
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

5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
CID 119501450
2-[5-(4-iodophenyl)pentanoylamino]acetic acid
CID 119350131
N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide
CID 119630034
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
tert-butyl N-[2-[4-(4-iodophenyl)butanoylamino]ethyl]carbamate
CID 177072985
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
(2R)-6-[4-(4-iodophenyl)butanoylamino]-2-(methylamino)hexanoic acid
CID 163386296
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide?
The IUPAC name of 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide (CID 119500842) is 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide.
What is the SMILES notation for 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide?
The canonical SMILES for 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide is CNCCNC(=O)CCCCCc1ccc(I)cc1.
What is the InChIKey of 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide?
The InChIKey is VDGOCLRLVOKMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-17-11-12-18-15(19)6-4-2-3-5-13-7-9-14(16)10-8-13/h7-10,17H,2-6,11-12H2,1H3,(H,18,19).
What are the key properties of 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide?
6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide has a molecular weight of 374.27 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide is sourced from PubChem (CID 119500842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).