N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C20H30N2O2 — CID 133162658

IUPACN-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCC1
InChIInChI=1S/C20H30N2O2/c1-16(20(23)21-11-6-14-22-12-4-5-13-22)24-19-10-9-17-7-2-3-8-18(17)15-19/h9-10,15-16H,2-8,11-14H2,1H3,(H,21,23)
InChIKeyGVANIUALYBTVPZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.93
Rot. Bonds7

About N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 133162658) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID133162658
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCC1
InChIInChI=1S/C20H30N2O2/c1-16(20(23)21-11-6-14-22-12-4-5-13-22)24-19-10-9-17-7-2-3-8-18(17)15-19/h9-10,15-16H,2-8,11-14H2,1H3,(H,21,23)
InChIKeyGVANIUALYBTVPZ-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 125057183
(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100569512
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 125053679
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100566149
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
N-[3-(4-chlorophenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200044
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
CID 99972262
N-[3-(N-methylanilino)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200305
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 133162658) is N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC(Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is GVANIUALYBTVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(20(23)21-11-6-14-22-12-4-5-13-22)24-19-10-9-17-7-2-3-8-18(17)15-19/h9-10,15-16H,2-8,11-14H2,1H3,(H,21,23).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 330.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 133162658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).