N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid

C19H27NO6 — CID 2949000

IUPACN-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid
SMILESC=CCc1cc(OC)ccc1OCCNC1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H25NO2.C2H2O4/c1-3-6-14-13-16(19-2)9-10-17(14)20-12-11-18-15-7-4-5-8-15;3-1(4)2(5)6/h3,9-10,13,15,18H,1,4-8,11-12H2,2H3;(H,3,4)(H,5,6)
InChIKeyGHRUKHSOIHWBOH-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.49
Rot. Bonds8

About N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid

N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid (PubChem CID 2949000) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid.

Molecular Properties

Compound NameN-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid
PubChem CID2949000
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC NameN-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid
SMILESC=CCc1cc(OC)ccc1OCCNC1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H25NO2.C2H2O4/c1-3-6-14-13-16(19-2)9-10-17(14)20-12-11-18-15-7-4-5-8-15;3-1(4)2(5)6/h3,9-10,13,15,18H,1,4-8,11-12H2,2H3;(H,3,4)(H,5,6)
InChIKeyGHRUKHSOIHWBOH-UHFFFAOYSA-N
XLogP2.49
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
CID 2199602
3-(4-chloro-2-prop-2-enylphenoxy)-N-propan-2-ylpropan-1-amine;oxalic acid
CID 2922806
1-[4-(4-methoxy-2-prop-2-enylphenoxy)butyl]pyrrolidin-1-ium
CID 2296721
1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione
CID 2221377
4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60810220
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[3-(4-tert-butylphenoxy)propyl]cyclopentanamine;oxalic acid
CID 2948780
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109013717
1-[3-(4-methoxy-2-prop-2-enylphenoxy)propyl]-4-methylpiperazine-1,4-diium
CID 2299606
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid?
The IUPAC name of N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid (CID 2949000) is N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid.
What is the SMILES notation for N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid?
The canonical SMILES for N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid is C=CCc1cc(OC)ccc1OCCNC1CCCC1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid?
The InChIKey is GHRUKHSOIHWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.C2H2O4/c1-3-6-14-13-16(19-2)9-10-17(14)20-12-11-18-15-7-4-5-8-15;3-1(4)2(5)6/h3,9-10,13,15,18H,1,4-8,11-12H2,2H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid?
N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid has a molecular weight of 365.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid is sourced from PubChem (CID 2949000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).