2-ethoxy-N-pent-4-ynylbenzamide

C14H17NO2 — CID 103709030

IUPAC2-ethoxy-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C14H17NO2/c1-3-5-8-11-15-14(16)12-9-6-7-10-13(12)17-4-2/h1,6-7,9-10H,4-5,8,11H2,2H3,(H,15,16)
InChIKeyGEVPBRWUQTWFQT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.23
Rot. Bonds6

About 2-ethoxy-N-pent-4-ynylbenzamide

2-ethoxy-N-pent-4-ynylbenzamide (PubChem CID 103709030) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethoxy-N-pent-4-ynylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-pent-4-ynylbenzamide
PubChem CID103709030
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-ethoxy-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C14H17NO2/c1-3-5-8-11-15-14(16)12-9-6-7-10-13(12)17-4-2/h1,6-7,9-10H,4-5,8,11H2,2H3,(H,15,16)
InChIKeyGEVPBRWUQTWFQT-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
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

N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-pent-4-ynylbenzamide?
The IUPAC name of 2-ethoxy-N-pent-4-ynylbenzamide (CID 103709030) is 2-ethoxy-N-pent-4-ynylbenzamide.
What is the SMILES notation for 2-ethoxy-N-pent-4-ynylbenzamide?
The canonical SMILES for 2-ethoxy-N-pent-4-ynylbenzamide is C#CCCCNC(=O)c1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-pent-4-ynylbenzamide?
The InChIKey is GEVPBRWUQTWFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-5-8-11-15-14(16)12-9-6-7-10-13(12)17-4-2/h1,6-7,9-10H,4-5,8,11H2,2H3,(H,15,16).
What are the key properties of 2-ethoxy-N-pent-4-ynylbenzamide?
2-ethoxy-N-pent-4-ynylbenzamide has a molecular weight of 231.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-pent-4-ynylbenzamide is sourced from PubChem (CID 103709030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).