N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C21H31NO2 — CID 133264467

IUPACN-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H31NO2/c1-2-20(21(23)22-18-11-5-3-4-6-12-18)24-19-14-13-16-9-7-8-10-17(16)15-19/h13-15,18,20H,2-12H2,1H3,(H,22,23)
InChIKeyZIPMMEKJLBCXLC-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.56
Rot. Bonds5

About N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133264467) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133264467
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H31NO2/c1-2-20(21(23)22-18-11-5-3-4-6-12-18)24-19-14-13-16-9-7-8-10-17(16)15-19/h13-15,18,20H,2-12H2,1H3,(H,22,23)
InChIKeyZIPMMEKJLBCXLC-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
CID 35329287
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161744
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
N-(cyclobutylmethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)butanamide
CID 110281951
N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
CID 17034466
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
N-(3-cyclopentyloxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133249694
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133231105
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133264467) is N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is ZIPMMEKJLBCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-2-20(21(23)22-18-11-5-3-4-6-12-18)24-19-14-13-16-9-7-8-10-17(16)15-19/h13-15,18,20H,2-12H2,1H3,(H,22,23).
What are the key properties of N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 329.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133264467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).