N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide

C17H23NO — CID 2930917

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C17H23NO/c1-11-3-6-14(7-4-11)17(19)18-12(2)16-10-13-5-8-15(16)9-13/h3-4,6-7,12-13,15-16H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyOPJVYVKELWZCHS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide (PubChem CID 2930917) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide
PubChem CID2930917
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C17H23NO/c1-11-3-6-14(7-4-11)17(19)18-12(2)16-10-13-5-8-15(16)9-13/h3-4,6-7,12-13,15-16H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyOPJVYVKELWZCHS-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

AR-M1000390
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N-(3,3-diphenylpropyl)benzamide
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N-Cyclohexylbenzamide
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(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
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Sdccggsk-0000288.P001
CID 44578255

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide (CID 2930917) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide?
The InChIKey is OPJVYVKELWZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11-3-6-14(7-4-11)17(19)18-12(2)16-10-13-5-8-15(16)9-13/h3-4,6-7,12-13,15-16H,5,8-10H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide has a molecular weight of 257.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 2930917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).