naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

C22H17NO4 — CID 2597031

IUPACnaphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@H](C(=O)OCc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H17NO4/c1-14(23-20(24)18-11-4-5-12-19(18)21(23)25)22(26)27-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12,14H,13H2,1H3/t14-/m1/s1
InChIKeyDNFCZXQZGJFWTC-CQSZACIVSA-N
MW359.38 g/mol
LogP3.57
Rot. Bonds4

About naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 2597031) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID2597031
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Namenaphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@H](C(=O)OCc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H17NO4/c1-14(23-20(24)18-11-4-5-12-19(18)21(23)25)22(26)27-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12,14H,13H2,1H3/t14-/m1/s1
InChIKeyDNFCZXQZGJFWTC-CQSZACIVSA-N
XLogP3.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-ylmethyl (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8846939
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554
(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3559613
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
(4-propan-2-ylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926839
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
(3,4,5-trimethoxyphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 9095643
(6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926558
(7-hydroxy-2-oxochromen-4-yl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926473
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2788098
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597534
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (CID 2597031) is naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is C[C@H](C(=O)OCc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is DNFCZXQZGJFWTC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H17NO4/c1-14(23-20(24)18-11-4-5-12-19(18)21(23)25)22(26)27-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12,14H,13H2,1H3/t14-/m1/s1.
What are the key properties of naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 359.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 2597031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).