ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate

C23H23NO3 — CID 17138723

IUPACethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23NO3/c1-2-27-23(26)15-17-7-11-21(12-8-17)24-14-13-22(25)20-10-9-18-5-3-4-6-19(18)16-20/h3-12,16,24H,2,13-15H2,1H3
InChIKeyXFQRGRHVEPFIME-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.63
Rot. Bonds8

About ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate

ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate (PubChem CID 17138723) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate
PubChem CID17138723
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Nameethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23NO3/c1-2-27-23(26)15-17-7-11-21(12-8-17)24-14-13-22(25)20-10-9-18-5-3-4-6-19(18)16-20/h3-12,16,24H,2,13-15H2,1H3
InChIKeyXFQRGRHVEPFIME-UHFFFAOYSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[[3-oxo-3-(2-oxochromen-3-yl)propyl]amino]phenyl]acetate
CID 51063480
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
ethyl 3-anilinopropanoate
CID 10910393
3-(4-ethylanilino)-1-phenylpropan-1-one
CID 17383220
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one
CID 4097731
ethyl 2-phenylacetate
CID 7590
1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 154014777
ethyl 3-(4-methylanilino)propanoate
CID 23052674
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate (CID 17138723) is ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate is CCOC(=O)Cc1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate?
The InChIKey is XFQRGRHVEPFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-27-23(26)15-17-7-11-21(12-8-17)24-14-13-22(25)20-10-9-18-5-3-4-6-19(18)16-20/h3-12,16,24H,2,13-15H2,1H3.
What are the key properties of ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate?
ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate has a molecular weight of 361.44 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate is sourced from PubChem (CID 17138723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).