2-ethyl-N-pent-4-ynylbenzamide

C14H17NO — CID 103816602

IUPAC2-ethyl-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1ccccc1CC
InChIInChI=1S/C14H17NO/c1-3-5-8-11-15-14(16)13-10-7-6-9-12(13)4-2/h1,6-7,9-10H,4-5,8,11H2,2H3,(H,15,16)
InChIKeyCBCKKIXTKAPJBC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.39
Rot. Bonds5

About 2-ethyl-N-pent-4-ynylbenzamide

2-ethyl-N-pent-4-ynylbenzamide (PubChem CID 103816602) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-ethyl-N-pent-4-ynylbenzamide.

Molecular Properties

Compound Name2-ethyl-N-pent-4-ynylbenzamide
PubChem CID103816602
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-ethyl-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1ccccc1CC
InChIInChI=1S/C14H17NO/c1-3-5-8-11-15-14(16)13-10-7-6-9-12(13)4-2/h1,6-7,9-10H,4-5,8,11H2,2H3,(H,15,16)
InChIKeyCBCKKIXTKAPJBC-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
3-amino-2-hydroxy-N-pent-4-ynylbenzamide
CID 106219804
3-amino-2-bromo-N-pent-4-ynylbenzamide
CID 106219842
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
2-chloro-3-fluoro-N-pent-4-ynylbenzamide
CID 103708843
3-amino-2-chloro-N-pent-4-ynylbenzamide
CID 106219785

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pent-4-ynylbenzamide?
The IUPAC name of 2-ethyl-N-pent-4-ynylbenzamide (CID 103816602) is 2-ethyl-N-pent-4-ynylbenzamide.
What is the SMILES notation for 2-ethyl-N-pent-4-ynylbenzamide?
The canonical SMILES for 2-ethyl-N-pent-4-ynylbenzamide is C#CCCCNC(=O)c1ccccc1CC.
What is the InChIKey of 2-ethyl-N-pent-4-ynylbenzamide?
The InChIKey is CBCKKIXTKAPJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-5-8-11-15-14(16)13-10-7-6-9-12(13)4-2/h1,6-7,9-10H,4-5,8,11H2,2H3,(H,15,16).
What are the key properties of 2-ethyl-N-pent-4-ynylbenzamide?
2-ethyl-N-pent-4-ynylbenzamide has a molecular weight of 215.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pent-4-ynylbenzamide is sourced from PubChem (CID 103816602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).