3-(hex-5-en-2-ylamino)benzamide

C13H18N2O — CID 104584057

IUPAC3-(hex-5-en-2-ylamino)benzamide
SMILESC=CCCC(C)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C13H18N2O/c1-3-4-6-10(2)15-12-8-5-7-11(9-12)13(14)16/h3,5,7-10,15H,1,4,6H2,2H3,(H2,14,16)
InChIKeyGXHYDJDJOLHVCF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds6

About 3-(hex-5-en-2-ylamino)benzamide

3-(hex-5-en-2-ylamino)benzamide (PubChem CID 104584057) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(hex-5-en-2-ylamino)benzamide.

Molecular Properties

Compound Name3-(hex-5-en-2-ylamino)benzamide
PubChem CID104584057
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(hex-5-en-2-ylamino)benzamide
SMILESC=CCCC(C)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C13H18N2O/c1-3-4-6-10(2)15-12-8-5-7-11(9-12)13(14)16/h3,5,7-10,15H,1,4,6H2,2H3,(H2,14,16)
InChIKeyGXHYDJDJOLHVCF-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
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
[3-(hex-5-en-2-ylamino)phenyl]methanol
CID 104655504
3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
CID 43202886
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 99854647
3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583862
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
propan-2-yl 4-(hex-5-en-2-ylamino)benzoate
CID 104655452
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-en-2-ylamino)benzamide?
The IUPAC name of 3-(hex-5-en-2-ylamino)benzamide (CID 104584057) is 3-(hex-5-en-2-ylamino)benzamide.
What is the SMILES notation for 3-(hex-5-en-2-ylamino)benzamide?
The canonical SMILES for 3-(hex-5-en-2-ylamino)benzamide is C=CCCC(C)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(hex-5-en-2-ylamino)benzamide?
The InChIKey is GXHYDJDJOLHVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-4-6-10(2)15-12-8-5-7-11(9-12)13(14)16/h3,5,7-10,15H,1,4,6H2,2H3,(H2,14,16).
What are the key properties of 3-(hex-5-en-2-ylamino)benzamide?
3-(hex-5-en-2-ylamino)benzamide has a molecular weight of 218.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-en-2-ylamino)benzamide is sourced from PubChem (CID 104584057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).