6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide

C29H43N3O3 — CID 142707525

IUPAC6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
SMILESO=C(CCCCCN(CCc1cccc2ccccc12)CCN1CCCC1)NOC1CCCCO1
InChIInChI=1S/C29H43N3O3/c33-28(30-35-29-16-5-9-24-34-29)15-2-1-6-18-32(23-22-31-19-7-8-20-31)21-17-26-13-10-12-25-11-3-4-14-27(25)26/h3-4,10-14,29H,1-2,5-9,15-24H2,(H,30,33)
InChIKeyQYHIYVWTRRTQBQ-UHFFFAOYSA-N
MW481.68 g/mol
LogP4.91
Rot. Bonds14

About 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide

6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide (PubChem CID 142707525) has the molecular formula C29H43N3O3 and a molecular weight of 481.68 g/mol. Its IUPAC name is 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide.

Molecular Properties

Compound Name6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
PubChem CID142707525
Molecular FormulaC29H43N3O3
Molecular Weight481.68 g/mol
Exact Mass481.33
IUPAC Name6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
SMILESO=C(CCCCCN(CCc1cccc2ccccc12)CCN1CCCC1)NOC1CCCCO1
InChIInChI=1S/C29H43N3O3/c33-28(30-35-29-16-5-9-24-34-29)15-2-1-6-18-32(23-22-31-19-7-8-20-31)21-17-26-13-10-12-25-11-3-4-14-27(25)26/h3-4,10-14,29H,1-2,5-9,15-24H2,(H,30,33)
InChIKeyQYHIYVWTRRTQBQ-UHFFFAOYSA-N
XLogP4.91
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707528
6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707485
6-[2-naphthalen-1-ylethyl(4-phenylbutanoyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707440
6-[4-(dimethylamino)butanoyl-(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707447
6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid
CID 142707496
6-[3-(2-methylpiperidin-1-yl)propyl-(2-naphthalen-1-ylethyl)amino]hexanoic acid
CID 142707473
N-[7-(oxan-2-yloxyamino)-7-oxoheptyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
CID 59535534
(E)-N-(1-ethylpiperidin-4-yl)-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide
CID 87225890
N-[2-[di(propan-2-yl)amino]ethyl]-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide
CID 90699569
(E)-N-(1-cyclopropylpiperidin-4-yl)-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide
CID 87225987
N-(oxan-2-yloxy)hexanamide
CID 142707517
4-[(E)-2-(naphthalen-1-yloxymethyl)-3-oxo-3-(3-pyrrolidin-1-ylpropylamino)prop-1-enyl]-N-(oxan-2-yloxy)benzamide
CID 118339112

Frequently Asked Questions

What is the IUPAC name of 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide?
The IUPAC name of 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide (CID 142707525) is 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide.
What is the SMILES notation for 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide?
The canonical SMILES for 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide is O=C(CCCCCN(CCc1cccc2ccccc12)CCN1CCCC1)NOC1CCCCO1.
What is the InChIKey of 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide?
The InChIKey is QYHIYVWTRRTQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O3/c33-28(30-35-29-16-5-9-24-34-29)15-2-1-6-18-32(23-22-31-19-7-8-20-31)21-17-26-13-10-12-25-11-3-4-14-27(25)26/h3-4,10-14,29H,1-2,5-9,15-24H2,(H,30,33).
What are the key properties of 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide?
6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide has a molecular weight of 481.68 g/mol, XLogP of 4.91, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide is sourced from PubChem (CID 142707525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).