N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

C23H30N2O3 — CID 8681300

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCCOc1ccc(OCCNC(=O)CN(C)[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C23H30N2O3/c1-3-27-19-11-13-20(14-12-19)28-16-15-24-23(26)17-25(2)22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,11-14,22H,3,6,8,10,15-17H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeyWBZHGVHARZBEJL-JOCHJYFZSA-N
MW382.50 g/mol
LogP3.59
Rot. Bonds9

About N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (PubChem CID 8681300) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
PubChem CID8681300
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCCOc1ccc(OCCNC(=O)CN(C)[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C23H30N2O3/c1-3-27-19-11-13-20(14-12-19)28-16-15-24-23(26)17-25(2)22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,11-14,22H,3,6,8,10,15-17H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeyWBZHGVHARZBEJL-JOCHJYFZSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681305
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
N-ethyl-2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]acetamide
CID 8681103
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
CID 8681009
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51565254
N-(cyclopentylcarbamoyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260380
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
N-(cyclopropylcarbamoyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260523
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 134043050
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (CID 8681300) is N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is CCOc1ccc(OCCNC(=O)CN(C)[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The InChIKey is WBZHGVHARZBEJL-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-27-19-11-13-20(14-12-19)28-16-15-24-23(26)17-25(2)22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,11-14,22H,3,6,8,10,15-17H2,1-2H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 8681300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).