methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate

C23H23NO4 — CID 92682140

IUPACmethyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C23H23NO4/c1-4-20(28-21-14-7-10-16-9-5-6-11-18(16)21)22(25)24-19-13-8-12-17(15(19)2)23(26)27-3/h5-14,20H,4H2,1-3H3,(H,24,25)/t20-/m1/s1
InChIKeyFVELZDNHDOJHNE-HXUWFJFHSA-N
MW377.44 g/mol
LogP4.73
Rot. Bonds6

About methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate

methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate (PubChem CID 92682140) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate
PubChem CID92682140
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namemethyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C23H23NO4/c1-4-20(28-21-14-7-10-16-9-5-6-11-18(16)21)22(25)24-19-13-8-12-17(15(19)2)23(26)27-3/h5-14,20H,4H2,1-3H3,(H,24,25)/t20-/m1/s1
InChIKeyFVELZDNHDOJHNE-HXUWFJFHSA-N
XLogP4.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate
CID 92677984
2-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]-N-propan-2-ylbenzamide
CID 38005316
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94019853
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
methyl 2-chloro-5-(2-naphthalen-1-yloxybutanoylamino)benzoate
CID 43915723
(2R)-N-(2,3-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 28633203
(2R)-2-naphthalen-1-yloxy-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 92682982
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
CID 92683938
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate (CID 92682140) is methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate is CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)OC)c1C.
What is the InChIKey of methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate?
The InChIKey is FVELZDNHDOJHNE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23NO4/c1-4-20(28-21-14-7-10-16-9-5-6-11-18(16)21)22(25)24-19-13-8-12-17(15(19)2)23(26)27-3/h5-14,20H,4H2,1-3H3,(H,24,25)/t20-/m1/s1.
What are the key properties of methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate?
methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate has a molecular weight of 377.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate is sourced from PubChem (CID 92682140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).