[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C24H25NO4 — CID 8952277

IUPAC[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)O[C@@H](C)C(=O)NCc3ccccc3)ccc2c1
InChIInChI=1S/C24H25NO4/c1-16(19-9-10-21-14-22(28-3)12-11-20(21)13-19)24(27)29-17(2)23(26)25-15-18-7-5-4-6-8-18/h4-14,16-17H,15H2,1-3H3,(H,25,26)/t16-,17-/m0/s1
InChIKeyVIDAMCPUADAPEV-IRXDYDNUSA-N
MW391.47 g/mol
LogP4.20
Rot. Bonds7

About [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952277) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952277
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)O[C@@H](C)C(=O)NCc3ccccc3)ccc2c1
InChIInChI=1S/C24H25NO4/c1-16(19-9-10-21-14-22(28-3)12-11-20(21)13-19)24(27)29-17(2)23(26)25-15-18-7-5-4-6-8-18/h4-14,16-17H,15H2,1-3H3,(H,25,26)/t16-,17-/m0/s1
InChIKeyVIDAMCPUADAPEV-IRXDYDNUSA-N
XLogP4.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate with MolForge

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506948
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952307
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573132
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952507
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952383
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952277) is [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)O[C@@H](C)C(=O)NCc3ccccc3)ccc2c1.
What is the InChIKey of [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is VIDAMCPUADAPEV-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16(19-9-10-21-14-22(28-3)12-11-20(21)13-19)24(27)29-17(2)23(26)25-15-18-7-5-4-6-8-18/h4-14,16-17H,15H2,1-3H3,(H,25,26)/t16-,17-/m0/s1.
What are the key properties of [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 391.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).