2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate

C26H28N2O5 — CID 175879151

IUPAC2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate
SMILESCNC(=O)OCCOc1ccc(C)c(C(=O)NC2(c3cc(OC)cc4ccccc34)CC2)c1
InChIInChI=1S/C26H28N2O5/c1-17-8-9-19(32-12-13-33-25(30)27-2)15-22(17)24(29)28-26(10-11-26)23-16-20(31-3)14-18-6-4-5-7-21(18)23/h4-9,14-16H,10-13H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyFJTZUBKNYBZOLY-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.31
Rot. Bonds8

About 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate

2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate (PubChem CID 175879151) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate
PubChem CID175879151
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate
SMILESCNC(=O)OCCOc1ccc(C)c(C(=O)NC2(c3cc(OC)cc4ccccc34)CC2)c1
InChIInChI=1S/C26H28N2O5/c1-17-8-9-19(32-12-13-33-25(30)27-2)15-22(17)24(29)28-26(10-11-26)23-16-20(31-3)14-18-6-4-5-7-21(18)23/h4-9,14-16H,10-13H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyFJTZUBKNYBZOLY-UHFFFAOYSA-N
XLogP4.31
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate?
The IUPAC name of 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate (CID 175879151) is 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate?
The canonical SMILES for 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate is CNC(=O)OCCOc1ccc(C)c(C(=O)NC2(c3cc(OC)cc4ccccc34)CC2)c1.
What is the InChIKey of 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate?
The InChIKey is FJTZUBKNYBZOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-17-8-9-19(32-12-13-33-25(30)27-2)15-22(17)24(29)28-26(10-11-26)23-16-20(31-3)14-18-6-4-5-7-21(18)23/h4-9,14-16H,10-13H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate?
2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate has a molecular weight of 448.52 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate is sourced from PubChem (CID 175879151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).