6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide

C14H21IN2O — CID 114257291

IUPAC6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide
SMILESCc1ccc(I)cc1NC(=O)CCC(C)CCN
InChIInChI=1S/C14H21IN2O/c1-10(7-8-16)3-6-14(18)17-13-9-12(15)5-4-11(13)2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyNOGHEOXILCUQRB-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.30
Rot. Bonds6

About 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide

6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide (PubChem CID 114257291) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide
PubChem CID114257291
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide
SMILESCc1ccc(I)cc1NC(=O)CCC(C)CCN
InChIInChI=1S/C14H21IN2O/c1-10(7-8-16)3-6-14(18)17-13-9-12(15)5-4-11(13)2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyNOGHEOXILCUQRB-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
5-(5-iodo-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 114257128
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
CID 62104870
6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
CID 81271124
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
6-amino-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619007
3-[(6-amino-4-methylhexanoyl)amino]-4-hydroxybenzoic acid
CID 107265243
6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide
CID 115912617
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide?
The IUPAC name of 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide (CID 114257291) is 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide?
The canonical SMILES for 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide is Cc1ccc(I)cc1NC(=O)CCC(C)CCN.
What is the InChIKey of 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide?
The InChIKey is NOGHEOXILCUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-10(7-8-16)3-6-14(18)17-13-9-12(15)5-4-11(13)2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide?
6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide has a molecular weight of 360.24 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide is sourced from PubChem (CID 114257291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).