ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate

C20H25NO3 — CID 171989556

IUPACethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate
SMILESCCOC(=O)C(CC)C(Nc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-4-18(20(22)24-5-2)19(21-16-9-7-6-8-10-16)15-11-13-17(23-3)14-12-15/h6-14,18-19,21H,4-5H2,1-3H3
InChIKeyGMCXZKVVFDSFPB-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.44
Rot. Bonds8

About ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate

ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate (PubChem CID 171989556) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate.

Molecular Properties

Compound Nameethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate
PubChem CID171989556
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate
SMILESCCOC(=O)C(CC)C(Nc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-4-18(20(22)24-5-2)19(21-16-9-7-6-8-10-16)15-11-13-17(23-3)14-12-15/h6-14,18-19,21H,4-5H2,1-3H3
InChIKeyGMCXZKVVFDSFPB-UHFFFAOYSA-N
XLogP4.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 100975098
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 101189863
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
diethyl 2-[anilino-(4-chlorophenyl)methyl]butanedioate
CID 16753203
diethyl 2-[anilino-(4-methoxycarbonylphenyl)methyl]propanedioate
CID 101418575
(1S,2R)-1-N-(4-methoxyphenyl)-1-phenylbutane-1,2-diamine
CID 101421459
methyl (2S,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 102470524
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
ethyl 2-fluoro-3-(4-methoxyanilino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 71608922
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
diethyl 2-[(S)-(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]propanedioate
CID 7323007

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate?
The IUPAC name of ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate (CID 171989556) is ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate.
What is the SMILES notation for ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate?
The canonical SMILES for ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate is CCOC(=O)C(CC)C(Nc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate?
The InChIKey is GMCXZKVVFDSFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-18(20(22)24-5-2)19(21-16-9-7-6-8-10-16)15-11-13-17(23-3)14-12-15/h6-14,18-19,21H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate?
ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate has a molecular weight of 327.42 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate is sourced from PubChem (CID 171989556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).