ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate

C19H21NO4 — CID 4947468

IUPACethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-2-23-19(22)13-12-18(21)20-16-8-10-17(11-9-16)24-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,21)
InChIKeySRNLDYSCWUVREN-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.55
Rot. Bonds8

About ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate

ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate (PubChem CID 4947468) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
PubChem CID4947468
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-2-23-19(22)13-12-18(21)20-16-8-10-17(11-9-16)24-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,21)
InChIKeySRNLDYSCWUVREN-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
2-phenylethyl 4-(4-hexoxyanilino)-4-oxobutanoate
CID 4939403
N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
CID 3886126
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(2-methylphenyl)acetate
CID 7489257

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate?
The IUPAC name of ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate (CID 4947468) is ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate.
What is the SMILES notation for ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate?
The canonical SMILES for ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate is CCOC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate?
The InChIKey is SRNLDYSCWUVREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-23-19(22)13-12-18(21)20-16-8-10-17(11-9-16)24-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,21).
What are the key properties of ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate?
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate has a molecular weight of 327.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate is sourced from PubChem (CID 4947468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).