methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate

C23H23NO4 — CID 70527480

IUPACmethyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccccc1OC)c1c(C)ccc2ccccc12
InChIInChI=1S/C23H23NO4/c1-15-13-14-17-9-5-6-10-18(17)21(15)24(16(2)23(26)28-4)22(25)19-11-7-8-12-20(19)27-3/h5-14,16H,1-4H3/t16-/m0/s1
InChIKeyXGIWULYAJKPQQF-INIZCTEOSA-N
MW377.44 g/mol
LogP4.37
Rot. Bonds5

About methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate

methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate (PubChem CID 70527480) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate
PubChem CID70527480
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namemethyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccccc1OC)c1c(C)ccc2ccccc12
InChIInChI=1S/C23H23NO4/c1-15-13-14-17-9-5-6-10-18(17)21(15)24(16(2)23(26)28-4)22(25)19-11-7-8-12-20(19)27-3/h5-14,16H,1-4H3/t16-/m0/s1
InChIKeyXGIWULYAJKPQQF-INIZCTEOSA-N
XLogP4.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[3-hydroxybutanoyl-(2-methylnaphthalen-1-yl)amino]propanoate
CID 70528581
methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(2-methylprop-2-enoyl)amino]propanoate
CID 70526140
methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate
CID 70526432
methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate
CID 54556098
methyl (2S)-2-[(2-methoxynaphthalen-1-yl)-prop-2-enoxycarbonylamino]propanoate
CID 70526476
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
N-(2-methoxy-6-methylphenyl)-N-methylbenzamide
CID 68723005
2-methoxybenzohydrazide
CID 24051
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67568315
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate (CID 70527480) is methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate is COC(=O)[C@H](C)N(C(=O)c1ccccc1OC)c1c(C)ccc2ccccc12.
What is the InChIKey of methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate?
The InChIKey is XGIWULYAJKPQQF-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-13-14-17-9-5-6-10-18(17)21(15)24(16(2)23(26)28-4)22(25)19-11-7-8-12-20(19)27-3/h5-14,16H,1-4H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate?
methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate has a molecular weight of 377.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate is sourced from PubChem (CID 70527480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).