N-[5-(hexylamino)-2-methylphenyl]acetamide

C15H24N2O — CID 43735857

IUPACN-[5-(hexylamino)-2-methylphenyl]acetamide
SMILESCCCCCCNc1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C15H24N2O/c1-4-5-6-7-10-16-14-9-8-12(2)15(11-14)17-13(3)18/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyQLBIMVZQJOMFPE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.95
Rot. Bonds7

About N-[5-(hexylamino)-2-methylphenyl]acetamide

N-[5-(hexylamino)-2-methylphenyl]acetamide (PubChem CID 43735857) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[5-(hexylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(hexylamino)-2-methylphenyl]acetamide
PubChem CID43735857
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[5-(hexylamino)-2-methylphenyl]acetamide
SMILESCCCCCCNc1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C15H24N2O/c1-4-5-6-7-10-16-14-9-8-12(2)15(11-14)17-13(3)18/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyQLBIMVZQJOMFPE-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-(hexylamino)phenyl]acetamide
CID 43690140
N-[2-chloro-4-(heptylamino)phenyl]acetamide
CID 43690209
N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087677
N-heptyl-3,4-dimethylaniline
CID 43129292
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide
CID 78895384
N-decyl-3-fluoro-4-methylaniline
CID 63488478
2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide
CID 60536220
N-[5-(dibutylamino)-2-methylphenyl]acetamide
CID 148976423
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
3-iodo-4-methyl-N-octylaniline
CID 43716130
3-chloro-N-dodecyl-4-methylaniline
CID 63487569

Frequently Asked Questions

What is the IUPAC name of N-[5-(hexylamino)-2-methylphenyl]acetamide?
The IUPAC name of N-[5-(hexylamino)-2-methylphenyl]acetamide (CID 43735857) is N-[5-(hexylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-(hexylamino)-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-(hexylamino)-2-methylphenyl]acetamide is CCCCCCNc1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of N-[5-(hexylamino)-2-methylphenyl]acetamide?
The InChIKey is QLBIMVZQJOMFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-6-7-10-16-14-9-8-12(2)15(11-14)17-13(3)18/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of N-[5-(hexylamino)-2-methylphenyl]acetamide?
N-[5-(hexylamino)-2-methylphenyl]acetamide has a molecular weight of 248.37 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hexylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 43735857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).