2-amino-6-ethoxy-N-hex-5-ynylbenzamide

C15H20N2O2 — CID 106208141

IUPAC2-amino-6-ethoxy-N-hex-5-ynylbenzamide
SMILESC#CCCCCNC(=O)c1c(N)cccc1OCC
InChIInChI=1S/C15H20N2O2/c1-3-5-6-7-11-17-15(18)14-12(16)9-8-10-13(14)19-4-2/h1,8-10H,4-7,11,16H2,2H3,(H,17,18)
InChIKeyNVFGEKVLPQJSPC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-6-ethoxy-N-hex-5-ynylbenzamide

2-amino-6-ethoxy-N-hex-5-ynylbenzamide (PubChem CID 106208141) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-hex-5-ynylbenzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-hex-5-ynylbenzamide
PubChem CID106208141
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-6-ethoxy-N-hex-5-ynylbenzamide
SMILESC#CCCCCNC(=O)c1c(N)cccc1OCC
InChIInChI=1S/C15H20N2O2/c1-3-5-6-7-11-17-15(18)14-12(16)9-8-10-13(14)19-4-2/h1,8-10H,4-7,11,16H2,2H3,(H,17,18)
InChIKeyNVFGEKVLPQJSPC-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106006138
2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332674
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
3-amino-N-hex-5-ynyl-2-hydroxybenzamide
CID 114158327
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-hex-5-ynylbenzamide?
The IUPAC name of 2-amino-6-ethoxy-N-hex-5-ynylbenzamide (CID 106208141) is 2-amino-6-ethoxy-N-hex-5-ynylbenzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-hex-5-ynylbenzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-hex-5-ynylbenzamide is C#CCCCCNC(=O)c1c(N)cccc1OCC.
What is the InChIKey of 2-amino-6-ethoxy-N-hex-5-ynylbenzamide?
The InChIKey is NVFGEKVLPQJSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-5-6-7-11-17-15(18)14-12(16)9-8-10-13(14)19-4-2/h1,8-10H,4-7,11,16H2,2H3,(H,17,18).
What are the key properties of 2-amino-6-ethoxy-N-hex-5-ynylbenzamide?
2-amino-6-ethoxy-N-hex-5-ynylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-hex-5-ynylbenzamide is sourced from PubChem (CID 106208141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).