2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate

C22H29NO2 — CID 71558422

IUPAC2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCCN(C)c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-17(2)16-19-10-12-20(13-11-19)18(3)22(24)25-15-14-23(4)21-8-6-5-7-9-21/h5-13,17-18H,14-16H2,1-4H3
InChIKeyFPDMMILWYOYWDX-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.67
Rot. Bonds8

About 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate

2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 71558422) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID71558422
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCCN(C)c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-17(2)16-19-10-12-20(13-11-19)18(3)22(24)25-15-14-23(4)21-8-6-5-7-9-21/h5-13,17-18H,14-16H2,1-4H3
InChIKeyFPDMMILWYOYWDX-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 135390819
2-sulfanylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10445655
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305
trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]azanium
CID 15219069
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077
3-bromopropyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 11727156
iodobenzene;4-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]butanoic acid
CID 122509645
4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane
CID 175830733
but-3-enyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 175830731
octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
phenylselanyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 141462539

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 71558422) is 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)OCCN(C)c2ccccc2)cc1.
What is the InChIKey of 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is FPDMMILWYOYWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17(2)16-19-10-12-20(13-11-19)18(3)22(24)25-15-14-23(4)21-8-6-5-7-9-21/h5-13,17-18H,14-16H2,1-4H3.
What are the key properties of 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 339.48 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 71558422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).