2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C21H25NO2 — CID 133188150

IUPAC2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NC(C)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H25NO2/c1-15-6-5-9-20(12-15)24-14-21(23)22-16(2)18-11-10-17-7-3-4-8-19(17)13-18/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,22,23)
InChIKeyRMKOQKVSAFEVQC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.13
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 133188150) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID133188150
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NC(C)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H25NO2/c1-15-6-5-9-20(12-15)24-14-21(23)22-16(2)18-11-10-17-7-3-4-8-19(17)13-18/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,22,23)
InChIKeyRMKOQKVSAFEVQC-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(4-bromo-3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190678
2-[(2-phenoxyacetyl)amino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9395582
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
2-(4-fluorophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396086
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133188915
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 8941122
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 133188150) is 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is Cc1cccc(OCC(=O)NC(C)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is RMKOQKVSAFEVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15-6-5-9-20(12-15)24-14-21(23)22-16(2)18-11-10-17-7-3-4-8-19(17)13-18/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 133188150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).