2-amino-N-(3-ethynylphenyl)hexanamide

C14H18N2O — CID 60852206

IUPAC2-amino-N-(3-ethynylphenyl)hexanamide
SMILESC#Cc1cccc(NC(=O)C(N)CCCC)c1
InChIInChI=1S/C14H18N2O/c1-3-5-9-13(15)14(17)16-12-8-6-7-11(4-2)10-12/h2,6-8,10,13H,3,5,9,15H2,1H3,(H,16,17)
InChIKeyHYXZNUPSIGFWGY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-N-(3-ethynylphenyl)hexanamide

2-amino-N-(3-ethynylphenyl)hexanamide (PubChem CID 60852206) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-N-(3-ethynylphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethynylphenyl)hexanamide
PubChem CID60852206
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-N-(3-ethynylphenyl)hexanamide
SMILESC#Cc1cccc(NC(=O)C(N)CCCC)c1
InChIInChI=1S/C14H18N2O/c1-3-5-9-13(15)14(17)16-12-8-6-7-11(4-2)10-12/h2,6-8,10,13H,3,5,9,15H2,1H3,(H,16,17)
InChIKeyHYXZNUPSIGFWGY-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-amino-N-(3-ethynylphenyl)-4-methylpentanamide
CID 24698325
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
2-[(3-ethynylphenyl)carbamoylamino]hexanoic acid
CID 61188195
(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148013
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187
2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
CID 60927656
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide
CID 60854220
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
3-ethynyl-N-hexan-2-ylaniline
CID 43755495

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethynylphenyl)hexanamide?
The IUPAC name of 2-amino-N-(3-ethynylphenyl)hexanamide (CID 60852206) is 2-amino-N-(3-ethynylphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(3-ethynylphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(3-ethynylphenyl)hexanamide is C#Cc1cccc(NC(=O)C(N)CCCC)c1.
What is the InChIKey of 2-amino-N-(3-ethynylphenyl)hexanamide?
The InChIKey is HYXZNUPSIGFWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-5-9-13(15)14(17)16-12-8-6-7-11(4-2)10-12/h2,6-8,10,13H,3,5,9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(3-ethynylphenyl)hexanamide?
2-amino-N-(3-ethynylphenyl)hexanamide has a molecular weight of 230.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethynylphenyl)hexanamide is sourced from PubChem (CID 60852206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).