[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C25H25NO5 — CID 8952069

IUPAC[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc2c1
InChIInChI=1S/C25H25NO5/c1-15(18-8-9-21-14-23(30-4)11-10-20(21)12-18)25(29)31-17(3)24(28)26-22-7-5-6-19(13-22)16(2)27/h5-15,17H,1-4H3,(H,26,28)/t15-,17+/m0/s1
InChIKeyPPECVUDDPHJYQC-DOTOQJQBSA-N
MW419.48 g/mol
LogP4.72
Rot. Bonds7

About [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952069) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952069
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc2c1
InChIInChI=1S/C25H25NO5/c1-15(18-8-9-21-14-23(30-4)11-10-20(21)12-18)25(29)31-17(3)24(28)26-22-7-5-6-19(13-22)16(2)27/h5-15,17H,1-4H3,(H,26,28)/t15-,17+/m0/s1
InChIKeyPPECVUDDPHJYQC-DOTOQJQBSA-N
XLogP4.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952883
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952507
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952383
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 41323985
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 2524179
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952307
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 7831456
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952277
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864581
N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54790136
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952069) is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc2c1.
What is the InChIKey of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is PPECVUDDPHJYQC-DOTOQJQBSA-N. The full InChI is InChI=1S/C25H25NO5/c1-15(18-8-9-21-14-23(30-4)11-10-20(21)12-18)25(29)31-17(3)24(28)26-22-7-5-6-19(13-22)16(2)27/h5-15,17H,1-4H3,(H,26,28)/t15-,17+/m0/s1.
What are the key properties of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 419.48 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).