methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate

C21H23NO4 — CID 163741476

IUPACmethyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate
SMILESCOC(=O)C(N)CC1CCc2cc(OCc3ccccc3)ccc2C1=O
InChIInChI=1S/C21H23NO4/c1-25-21(24)19(22)12-16-8-7-15-11-17(9-10-18(15)20(16)23)26-13-14-5-3-2-4-6-14/h2-6,9-11,16,19H,7-8,12-13,22H2,1H3
InChIKeyLIDPKCXRTAWECP-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.90
Rot. Bonds6

About methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate

methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate (PubChem CID 163741476) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate
PubChem CID163741476
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate
SMILESCOC(=O)C(N)CC1CCc2cc(OCc3ccccc3)ccc2C1=O
InChIInChI=1S/C21H23NO4/c1-25-21(24)19(22)12-16-8-7-15-11-17(9-10-18(15)20(16)23)26-13-14-5-3-2-4-6-14/h2-6,9-11,16,19H,7-8,12-13,22H2,1H3
InChIKeyLIDPKCXRTAWECP-UHFFFAOYSA-N
XLogP2.90
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
6-[[4-[amino(hydroxy)methyl]phenyl]methoxy]-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 155703879
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
3-(2-ethoxy-2-oxoethyl)-3-[[(1S)-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl]methyl]pentanedioic acid
CID 90902196
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
2-[1-oxo-6-(pyrimidin-5-ylmethoxy)-3,4-dihydro-2H-naphthalen-2-yl]acetaldehyde
CID 141005513
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
CID 68909509
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one
CID 69201252
4-[[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxymethyl]benzoic acid;2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(4-propanoylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 164960060
(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate (CID 163741476) is methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate is COC(=O)C(N)CC1CCc2cc(OCc3ccccc3)ccc2C1=O.
What is the InChIKey of methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The InChIKey is LIDPKCXRTAWECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-25-21(24)19(22)12-16-8-7-15-11-17(9-10-18(15)20(16)23)26-13-14-5-3-2-4-6-14/h2-6,9-11,16,19H,7-8,12-13,22H2,1H3.
What are the key properties of methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate has a molecular weight of 353.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate is sourced from PubChem (CID 163741476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).