N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide

C16H21NO2 — CID 18360715

IUPACN-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCC1CCCc2ccc(O)cc21)C1CC1
InChIInChI=1S/C16H21NO2/c18-14-7-6-11-2-1-3-12(15(11)10-14)8-9-17-16(19)13-4-5-13/h6-7,10,12-13,18H,1-5,8-9H2,(H,17,19)
InChIKeyWDVJGHQSRRXISH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide

N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 18360715) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID18360715
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCC1CCCc2ccc(O)cc21)C1CC1
InChIInChI=1S/C16H21NO2/c18-14-7-6-11-2-1-3-12(15(11)10-14)8-9-17-16(19)13-4-5-13/h6-7,10,12-13,18H,1-5,8-9H2,(H,17,19)
InChIKeyWDVJGHQSRRXISH-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide (CID 18360715) is N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide is O=C(NCCC1CCCc2ccc(O)cc21)C1CC1.
What is the InChIKey of N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is WDVJGHQSRRXISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-14-7-6-11-2-1-3-12(15(11)10-14)8-9-17-16(19)13-4-5-13/h6-7,10,12-13,18H,1-5,8-9H2,(H,17,19).
What are the key properties of N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 18360715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).