2-(4-aminophenyl)-N-hex-5-ynylacetamide

C14H18N2O — CID 106208123

IUPAC2-(4-aminophenyl)-N-hex-5-ynylacetamide
SMILESC#CCCCCNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H18N2O/c1-2-3-4-5-10-16-14(17)11-12-6-8-13(15)9-7-12/h1,6-9H,3-5,10-11,15H2,(H,16,17)
InChIKeyLZMYZJCMGHHRJD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.73
Rot. Bonds6

About 2-(4-aminophenyl)-N-hex-5-ynylacetamide

2-(4-aminophenyl)-N-hex-5-ynylacetamide (PubChem CID 106208123) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-hex-5-ynylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-hex-5-ynylacetamide
PubChem CID106208123
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4-aminophenyl)-N-hex-5-ynylacetamide
SMILESC#CCCCCNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H18N2O/c1-2-3-4-5-10-16-14(17)11-12-6-8-13(15)9-7-12/h1,6-9H,3-5,10-11,15H2,(H,16,17)
InChIKeyLZMYZJCMGHHRJD-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
3-(4-aminophenyl)-N-hex-5-ynylbutanamide
CID 106213111
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-(3-bromophenyl)-N-hex-5-ynylacetamide
CID 103757951
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
3-(4-aminophenoxy)-N-pent-4-ynylpropanamide
CID 106219813
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
CID 119885427
4-amino-2-chloro-N-hex-5-ynylbenzamide
CID 106208110
methyl 4-[[2-(4-aminophenyl)acetyl]amino]butanoate
CID 61274710

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-hex-5-ynylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-hex-5-ynylacetamide (CID 106208123) is 2-(4-aminophenyl)-N-hex-5-ynylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-hex-5-ynylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-hex-5-ynylacetamide is C#CCCCCNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-hex-5-ynylacetamide?
The InChIKey is LZMYZJCMGHHRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-4-5-10-16-14(17)11-12-6-8-13(15)9-7-12/h1,6-9H,3-5,10-11,15H2,(H,16,17).
What are the key properties of 2-(4-aminophenyl)-N-hex-5-ynylacetamide?
2-(4-aminophenyl)-N-hex-5-ynylacetamide has a molecular weight of 230.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-hex-5-ynylacetamide is sourced from PubChem (CID 106208123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).