methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate

C24H23NO3 — CID 67287385

IUPACmethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C#CCNC(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H23NO3/c1-18(22-11-5-9-20-8-3-4-10-23(20)22)25-16-6-7-19-12-14-21(15-13-19)28-17-24(26)27-2/h3-5,8-15,18,25H,16-17H2,1-2H3
InChIKeyONOADGBCTFMLSB-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.09
Rot. Bonds6

About methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate

methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate (PubChem CID 67287385) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate
PubChem CID67287385
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namemethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C#CCNC(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H23NO3/c1-18(22-11-5-9-20-8-3-4-10-23(20)22)25-16-6-7-19-12-14-21(15-13-19)28-17-24(26)27-2/h3-5,8-15,18,25H,16-17H2,1-2H3
InChIKeyONOADGBCTFMLSB-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]benzoate;hydrochloride
CID 67288685
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359
2-hydroxy-3-methyl-5-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]benzoic acid
CID 67288005
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 42933234
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
methyl (E)-2,2-dimethyl-6-[[(1R)-1-naphthalen-1-ylethyl]amino]hex-4-enoate
CID 70834224
3-(3-hydroxyprop-1-ynyl)-N-(1-naphthalen-1-ylethyl)benzamide
CID 155963043
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-(2-hydroxyphenoxy)-N-(1-naphthalen-1-ylethyl)acetamide
CID 78777927

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate (CID 67287385) is methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate is COC(=O)COc1ccc(C#CCNC(C)c2cccc3ccccc23)cc1.
What is the InChIKey of methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate?
The InChIKey is ONOADGBCTFMLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18(22-11-5-9-20-8-3-4-10-23(20)22)25-16-6-7-19-12-14-21(15-13-19)28-17-24(26)27-2/h3-5,8-15,18,25H,16-17H2,1-2H3.
What are the key properties of methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate?
methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate has a molecular weight of 373.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(1-naphthalen-1-ylethylamino)prop-1-ynyl]phenoxy]acetate is sourced from PubChem (CID 67287385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).