N-pent-3-ynyl-3-propoxybenzamide

C15H19NO2 — CID 115977193

IUPACN-pent-3-ynyl-3-propoxybenzamide
SMILESCC#CCCNC(=O)c1cccc(OCCC)c1
InChIInChI=1S/C15H19NO2/c1-3-5-6-10-16-15(17)13-8-7-9-14(12-13)18-11-4-2/h7-9,12H,4,6,10-11H2,1-2H3,(H,16,17)
InChIKeyFJUVCWIKASEHHM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.62
Rot. Bonds6

About N-pent-3-ynyl-3-propoxybenzamide

N-pent-3-ynyl-3-propoxybenzamide (PubChem CID 115977193) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-pent-3-ynyl-3-propoxybenzamide.

Molecular Properties

Compound NameN-pent-3-ynyl-3-propoxybenzamide
PubChem CID115977193
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-pent-3-ynyl-3-propoxybenzamide
SMILESCC#CCCNC(=O)c1cccc(OCCC)c1
InChIInChI=1S/C15H19NO2/c1-3-5-6-10-16-15(17)13-8-7-9-14(12-13)18-11-4-2/h7-9,12H,4,6,10-11H2,1-2H3,(H,16,17)
InChIKeyFJUVCWIKASEHHM-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.62
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

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
CID 103767620
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynyl-3-propoxybenzamide?
The IUPAC name of N-pent-3-ynyl-3-propoxybenzamide (CID 115977193) is N-pent-3-ynyl-3-propoxybenzamide.
What is the SMILES notation for N-pent-3-ynyl-3-propoxybenzamide?
The canonical SMILES for N-pent-3-ynyl-3-propoxybenzamide is CC#CCCNC(=O)c1cccc(OCCC)c1.
What is the InChIKey of N-pent-3-ynyl-3-propoxybenzamide?
The InChIKey is FJUVCWIKASEHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-5-6-10-16-15(17)13-8-7-9-14(12-13)18-11-4-2/h7-9,12H,4,6,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-pent-3-ynyl-3-propoxybenzamide?
N-pent-3-ynyl-3-propoxybenzamide has a molecular weight of 245.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynyl-3-propoxybenzamide is sourced from PubChem (CID 115977193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).