acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide

C26H36N2O3 — CID 143866018

IUPACacetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide
SMILESC#C.COc1ccc(CCCN2CCCC2)cc1.Cc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C14H21NO.C10H13NO2.C2H2/c1-16-14-8-6-13(7-9-14)5-4-12-15-10-2-3-11-15;1-8-2-4-9(5-3-8)13-7-6-10(11)12;1-2/h6-9H,2-5,10-12H2,1H3;2-5H,6-7H2,1H3,(H2,11,12);1-2H
InChIKeyLXVQNIRPMTWCLT-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.22
Rot. Bonds9

About acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide

acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide (PubChem CID 143866018) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Nameacetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide
PubChem CID143866018
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Nameacetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide
SMILESC#C.COc1ccc(CCCN2CCCC2)cc1.Cc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C14H21NO.C10H13NO2.C2H2/c1-16-14-8-6-13(7-9-14)5-4-12-15-10-2-3-11-15;1-8-2-4-9(5-3-8)13-7-6-10(11)12;1-2/h6-9H,2-5,10-12H2,1H3;2-5H,6-7H2,1H3,(H2,11,12);1-2H
InChIKeyLXVQNIRPMTWCLT-UHFFFAOYSA-N
XLogP4.22
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(4-fluorobutoxy)phenyl]propyl]pyrrolidine;6-(4-methoxyphenyl)-6-oxohexanamide
CID 143865998
6-(4-methoxyphenyl)-6-oxohexanamide;4-[2-[4-(3-pyrrolidin-1-ylpropyl)phenoxy]ethoxy]benzonitrile
CID 143934806
acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;6-oxo-6-(4-propan-2-yloxyphenyl)hexanamide
CID 143934945
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-[3-(4-hexoxyphenyl)propyl]pyrrolidine;5-[4-(2-methoxyethoxy)phenyl]-5-oxopentanamide
CID 143934832
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983
butane;ethane;1-[3-(4-ethoxyphenyl)propyl]pyrrolidine;4-(4-formylphenoxy)butanamide;propane
CID 143934713
(3S)-1-[3-(4-hexoxyphenyl)propyl]pyrrolidin-3-ol;4-(4-methoxyphenoxy)butanamide
CID 143934692
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406

Frequently Asked Questions

What is the IUPAC name of acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide?
The IUPAC name of acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide (CID 143866018) is acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide.
What is the SMILES notation for acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide?
The canonical SMILES for acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide is C#C.COc1ccc(CCCN2CCCC2)cc1.Cc1ccc(OCCC(N)=O)cc1.
What is the InChIKey of acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide?
The InChIKey is LXVQNIRPMTWCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C10H13NO2.C2H2/c1-16-14-8-6-13(7-9-14)5-4-12-15-10-2-3-11-15;1-8-2-4-9(5-3-8)13-7-6-10(11)12;1-2/h6-9H,2-5,10-12H2,1H3;2-5H,6-7H2,1H3,(H2,11,12);1-2H.
What are the key properties of acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide?
acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide has a molecular weight of 424.59 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 143866018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).