methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate

C22H21NO4 — CID 43904604

IUPACmethyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C22H21NO4/c1-3-20(27-19-13-10-15-6-4-5-7-17(15)14-19)21(24)23-18-11-8-16(9-12-18)22(25)26-2/h4-14,20H,3H2,1-2H3,(H,23,24)
InChIKeyPUOBTZZCBQJWKH-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.42
Rot. Bonds6

About methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate

methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate (PubChem CID 43904604) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
PubChem CID43904604
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namemethyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C22H21NO4/c1-3-20(27-19-13-10-15-6-4-5-7-17(15)14-19)21(24)23-18-11-8-16(9-12-18)22(25)26-2/h4-14,20H,3H2,1-2H3,(H,23,24)
InChIKeyPUOBTZZCBQJWKH-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate
CID 43915556
methyl 4-[2-(3,5-dimethylphenoxy)butanoylamino]benzoate
CID 17034486
methyl 4-[[(2R)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28635665
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
(2R)-N-(4-butylphenyl)-2-naphthalen-2-yloxybutanamide
CID 28573574
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628
(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010633

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate?
The IUPAC name of methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate (CID 43904604) is methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate.
What is the SMILES notation for methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate?
The canonical SMILES for methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate?
The InChIKey is PUOBTZZCBQJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-3-20(27-19-13-10-15-6-4-5-7-17(15)14-19)21(24)23-18-11-8-16(9-12-18)22(25)26-2/h4-14,20H,3H2,1-2H3,(H,23,24).
What are the key properties of methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate?
methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate has a molecular weight of 363.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate is sourced from PubChem (CID 43904604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).