2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide

C19H23N3O2 — CID 140578840

IUPAC2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC=NOCCN2CCCC2)ccc2ccccc12
InChIInChI=1S/C19H23N3O2/c20-19(23)18-16(8-7-15-5-1-2-6-17(15)18)9-10-21-24-14-13-22-11-3-4-12-22/h1-2,5-8,10H,3-4,9,11-14H2,(H2,20,23)
InChIKeyYYZNVVJDOHXXAB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide

2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide (PubChem CID 140578840) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide
PubChem CID140578840
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC=NOCCN2CCCC2)ccc2ccccc12
InChIInChI=1S/C19H23N3O2/c20-19(23)18-16(8-7-15-5-1-2-6-17(15)18)9-10-21-24-14-13-22-11-3-4-12-22/h1-2,5-8,10H,3-4,9,11-14H2,(H2,20,23)
InChIKeyYYZNVVJDOHXXAB-UHFFFAOYSA-N
XLogP2.58
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide (CID 140578840) is 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide is NC(=O)c1c(CC=NOCCN2CCCC2)ccc2ccccc12.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide?
The InChIKey is YYZNVVJDOHXXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-19(23)18-16(8-7-15-5-1-2-6-17(15)18)9-10-21-24-14-13-22-11-3-4-12-22/h1-2,5-8,10H,3-4,9,11-14H2,(H2,20,23).
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide?
2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 140578840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).