2-methoxy-N-pent-3-ynylbenzamide

C13H15NO2 — CID 115977258

IUPAC2-methoxy-N-pent-3-ynylbenzamide
SMILESCC#CCCNC(=O)c1ccccc1OC
InChIInChI=1S/C13H15NO2/c1-3-4-7-10-14-13(15)11-8-5-6-9-12(11)16-2/h5-6,8-9H,7,10H2,1-2H3,(H,14,15)
InChIKeyHTMDXVFMNUWOJG-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds4

About 2-methoxy-N-pent-3-ynylbenzamide

2-methoxy-N-pent-3-ynylbenzamide (PubChem CID 115977258) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methoxy-N-pent-3-ynylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-pent-3-ynylbenzamide
PubChem CID115977258
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methoxy-N-pent-3-ynylbenzamide
SMILESCC#CCCNC(=O)c1ccccc1OC
InChIInChI=1S/C13H15NO2/c1-3-4-7-10-14-13(15)11-8-5-6-9-12(11)16-2/h5-6,8-9H,7,10H2,1-2H3,(H,14,15)
InChIKeyHTMDXVFMNUWOJG-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
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

2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
2-methoxy-N-tridecylbenzamide
CID 139819873
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
3-amino-2-hydroxy-N-pent-3-ynylbenzamide
CID 116642602

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-pent-3-ynylbenzamide?
The IUPAC name of 2-methoxy-N-pent-3-ynylbenzamide (CID 115977258) is 2-methoxy-N-pent-3-ynylbenzamide.
What is the SMILES notation for 2-methoxy-N-pent-3-ynylbenzamide?
The canonical SMILES for 2-methoxy-N-pent-3-ynylbenzamide is CC#CCCNC(=O)c1ccccc1OC.
What is the InChIKey of 2-methoxy-N-pent-3-ynylbenzamide?
The InChIKey is HTMDXVFMNUWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-4-7-10-14-13(15)11-8-5-6-9-12(11)16-2/h5-6,8-9H,7,10H2,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-N-pent-3-ynylbenzamide?
2-methoxy-N-pent-3-ynylbenzamide has a molecular weight of 217.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-pent-3-ynylbenzamide is sourced from PubChem (CID 115977258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).