[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate

C22H21NO4 — CID 7488833

IUPAC[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21NO4/c1-15(27-22(25)18-12-10-16(11-13-18)14-26-2)21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyDXAFSAHGQNWGGE-HNNXBMFYSA-N
MW363.41 g/mol
LogP4.17
Rot. Bonds6

About [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate

[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate (PubChem CID 7488833) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
PubChem CID7488833
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21NO4/c1-15(27-22(25)18-12-10-16(11-13-18)14-26-2)21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyDXAFSAHGQNWGGE-HNNXBMFYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 18197163
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949860
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751729
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751731
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7991700
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7418317
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700737
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7587765
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477035
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 8012509
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23999726

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate?
The IUPAC name of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate (CID 7488833) is [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate.
What is the SMILES notation for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate?
The canonical SMILES for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate is COCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate?
The InChIKey is DXAFSAHGQNWGGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-15(27-22(25)18-12-10-16(11-13-18)14-26-2)21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate?
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate has a molecular weight of 363.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate is sourced from PubChem (CID 7488833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).