N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C26H35NO2 — CID 133184920

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H35NO2/c1-6-24(29-23-16-13-20-9-7-8-10-21(20)17-23)25(28)27-18(2)19-11-14-22(15-12-19)26(3,4)5/h11-18,24H,6-10H2,1-5H3,(H,27,28)
InChIKeyTXADIVBUJPHHRX-UHFFFAOYSA-N
MW393.57 g/mol
LogP5.90
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133184920) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133184920
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H35NO2/c1-6-24(29-23-16-13-20-9-7-8-10-21(20)17-23)25(28)27-18(2)19-11-14-22(15-12-19)26(3,4)5/h11-18,24H,6-10H2,1-5H3,(H,27,28)
InChIKeyTXADIVBUJPHHRX-UHFFFAOYSA-N
XLogP5.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133160109
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133189081
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200009
N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide
CID 132670980
(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100527759
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
CID 61180622
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133264467
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 93488145
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133184920) is N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is TXADIVBUJPHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-6-24(29-23-16-13-20-9-7-8-10-21(20)17-23)25(28)27-18(2)19-11-14-22(15-12-19)26(3,4)5/h11-18,24H,6-10H2,1-5H3,(H,27,28).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 393.57 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133184920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).