methyl 5-anilino-5-phenylpentanoate

C18H21NO2 — CID 11818425

IUPACmethyl 5-anilino-5-phenylpentanoate
SMILESCOC(=O)CCCC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-21-18(20)14-8-13-17(15-9-4-2-5-10-15)19-16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3
InChIKeyOHHXCISQLPHWSS-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.18
Rot. Bonds7

About methyl 5-anilino-5-phenylpentanoate

methyl 5-anilino-5-phenylpentanoate (PubChem CID 11818425) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 5-anilino-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 5-anilino-5-phenylpentanoate
PubChem CID11818425
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 5-anilino-5-phenylpentanoate
SMILESCOC(=O)CCCC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-21-18(20)14-8-13-17(15-9-4-2-5-10-15)19-16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3
InChIKeyOHHXCISQLPHWSS-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-anilino-5-(4-chlorophenyl)pentanoate
CID 14576811
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl 5,5-diphenylpentanoate
CID 10923549
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
methyl 5-anilino-6,6,6-trifluorohexanoate
CID 46193888
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562

Frequently Asked Questions

What is the IUPAC name of methyl 5-anilino-5-phenylpentanoate?
The IUPAC name of methyl 5-anilino-5-phenylpentanoate (CID 11818425) is methyl 5-anilino-5-phenylpentanoate.
What is the SMILES notation for methyl 5-anilino-5-phenylpentanoate?
The canonical SMILES for methyl 5-anilino-5-phenylpentanoate is COC(=O)CCCC(Nc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 5-anilino-5-phenylpentanoate?
The InChIKey is OHHXCISQLPHWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-18(20)14-8-13-17(15-9-4-2-5-10-15)19-16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3.
What are the key properties of methyl 5-anilino-5-phenylpentanoate?
methyl 5-anilino-5-phenylpentanoate has a molecular weight of 283.37 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-anilino-5-phenylpentanoate is sourced from PubChem (CID 11818425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).