N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide

C16H24N2O — CID 104583783

IUPACN-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
SMILESC=CCCC(C)Nc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C16H24N2O/c1-5-7-9-12(3)17-14-10-8-11-15(13(14)4)18-16(19)6-2/h5,8,10-12,17H,1,6-7,9H2,2-4H3,(H,18,19)
InChIKeyYVWSIHACFYASHC-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.11
Rot. Bonds7

About N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide

N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide (PubChem CID 104583783) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
PubChem CID104583783
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
SMILESC=CCCC(C)Nc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C16H24N2O/c1-5-7-9-12(3)17-14-10-8-11-15(13(14)4)18-16(19)6-2/h5,8,10-12,17H,1,6-7,9H2,2-4H3,(H,18,19)
InChIKeyYVWSIHACFYASHC-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.11
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-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
CID 103930833
N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
CID 115916566
3-(hex-5-en-2-ylamino)-2,6-dimethylphenol
CID 104655583
N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
CID 64993033
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
(E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide
CID 94151525
N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115916565
N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
CID 102976770
2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid
CID 61455045
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 65229652
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828

Frequently Asked Questions

What is the IUPAC name of N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide?
The IUPAC name of N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide (CID 104583783) is N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide is C=CCCC(C)Nc1cccc(NC(=O)CC)c1C.
What is the InChIKey of N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide?
The InChIKey is YVWSIHACFYASHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-7-9-12(3)17-14-10-8-11-15(13(14)4)18-16(19)6-2/h5,8,10-12,17H,1,6-7,9H2,2-4H3,(H,18,19).
What are the key properties of N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide?
N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 104583783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).