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

C14H18N2O — CID 24703584

IUPAC6-amino-N-(3-ethynylphenyl)hexanamide
SMILESC#Cc1cccc(NC(=O)CCCCCN)c1
InChIInChI=1S/C14H18N2O/c1-2-12-7-6-8-13(11-12)16-14(17)9-4-3-5-10-15/h1,6-8,11H,3-5,9-10,15H2,(H,16,17)
InChIKeyTXQVLFWPWOLFMY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.13
Rot. Bonds6

About 6-amino-N-(3-ethynylphenyl)hexanamide

6-amino-N-(3-ethynylphenyl)hexanamide (PubChem CID 24703584) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-amino-N-(3-ethynylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(3-ethynylphenyl)hexanamide
PubChem CID24703584
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-amino-N-(3-ethynylphenyl)hexanamide
SMILESC#Cc1cccc(NC(=O)CCCCCN)c1
InChIInChI=1S/C14H18N2O/c1-2-12-7-6-8-13(11-12)16-14(17)9-4-3-5-10-15/h1,6-8,11H,3-5,9-10,15H2,(H,16,17)
InChIKeyTXQVLFWPWOLFMY-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-ethynylanilino)-6-oxohexanoic acid
CID 43529234
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
6-[(3-ethynylphenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447186
N-(3-ethynylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852147
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-(3-ethynylphenyl)-3-(methanesulfonamido)propanamide
CID 47028332
7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
CID 43708790
N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792
N-(3-cyanophenyl)octanamide
CID 4958584
2-(diaminomethylideneamino)-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 75480302

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-ethynylphenyl)hexanamide?
The IUPAC name of 6-amino-N-(3-ethynylphenyl)hexanamide (CID 24703584) is 6-amino-N-(3-ethynylphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(3-ethynylphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(3-ethynylphenyl)hexanamide is C#Cc1cccc(NC(=O)CCCCCN)c1.
What is the InChIKey of 6-amino-N-(3-ethynylphenyl)hexanamide?
The InChIKey is TXQVLFWPWOLFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-12-7-6-8-13(11-12)16-14(17)9-4-3-5-10-15/h1,6-8,11H,3-5,9-10,15H2,(H,16,17).
What are the key properties of 6-amino-N-(3-ethynylphenyl)hexanamide?
6-amino-N-(3-ethynylphenyl)hexanamide has a molecular weight of 230.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-ethynylphenyl)hexanamide is sourced from PubChem (CID 24703584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).