N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide

C15H22N2O — CID 104584017

IUPACN-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
SMILESC=CCCC(C)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C15H22N2O/c1-5-6-7-12(3)16-14-8-9-15(11(2)10-14)17-13(4)18/h5,8-10,12,16H,1,6-7H2,2-4H3,(H,17,18)
InChIKeyFTLSOGOWMFMTRL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.72
Rot. Bonds6

About N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide

N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide (PubChem CID 104584017) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
PubChem CID104584017
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
SMILESC=CCCC(C)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C15H22N2O/c1-5-6-7-12(3)16-14-8-9-15(11(2)10-14)17-13(4)18/h5,8-10,12,16H,1,6-7H2,2-4H3,(H,17,18)
InChIKeyFTLSOGOWMFMTRL-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
CID 43672857
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
N-hex-5-en-2-yl-3-methyl-4-nitroaniline
CID 104655675
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835

Frequently Asked Questions

What is the IUPAC name of N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide?
The IUPAC name of N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide (CID 104584017) is N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide is C=CCCC(C)Nc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide?
The InChIKey is FTLSOGOWMFMTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-6-7-12(3)16-14-8-9-15(11(2)10-14)17-13(4)18/h5,8-10,12,16H,1,6-7H2,2-4H3,(H,17,18).
What are the key properties of N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide?
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 104584017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).