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

C16H21NO — CID 22922689

IUPACN-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCC1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H21NO/c18-16(14-8-9-14)17-11-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7,13-14H,3,5-6,8-11H2,(H,17,18)
InChIKeyDKKGBRMNIWXZKP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.02
Rot. Bonds4

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

N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 22922689) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID22922689
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCC1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H21NO/c18-16(14-8-9-14)17-11-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7,13-14H,3,5-6,8-11H2,(H,17,18)
InChIKeyDKKGBRMNIWXZKP-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 18360715
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
CID 102560238
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 51942286
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide (CID 22922689) is N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide is O=C(NCCC1CCCc2ccccc21)C1CC1.
What is the InChIKey of N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is DKKGBRMNIWXZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(14-8-9-14)17-11-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7,13-14H,3,5-6,8-11H2,(H,17,18).
What are the key properties of N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 22922689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).