N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C20H23NO — CID 51354594

IUPACN-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCc2ccccc2C1
InChIInChI=1S/C20H23NO/c22-20(21-14-6-9-16-7-2-1-3-8-16)19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19H,6,9,12-15H2,(H,21,22)
InChIKeyGYHKQEZIUQOZGV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.54
Rot. Bonds5

About N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 51354594) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID51354594
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCc2ccccc2C1
InChIInChI=1S/C20H23NO/c22-20(21-14-6-9-16-7-2-1-3-8-16)19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19H,6,9,12-15H2,(H,21,22)
InChIKeyGYHKQEZIUQOZGV-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 51354594) is N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCCCc1ccccc1)C1CCc2ccccc2C1.
What is the InChIKey of N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GYHKQEZIUQOZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(21-14-6-9-16-7-2-1-3-8-16)19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19H,6,9,12-15H2,(H,21,22).
What are the key properties of N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 51354594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).