propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate

C18H21NO3 — CID 102078698

IUPACpropan-2-yl 2-(4-methoxyanilino)-2-phenylacetate
SMILESCOc1ccc(NC(C(=O)OC(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(2)22-18(20)17(14-7-5-4-6-8-14)19-15-9-11-16(21-3)12-10-15/h4-13,17,19H,1-3H3
InChIKeyCTEIJFSXKDOHOZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.80
Rot. Bonds6

About propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate

propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate (PubChem CID 102078698) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methoxyanilino)-2-phenylacetate
PubChem CID102078698
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namepropan-2-yl 2-(4-methoxyanilino)-2-phenylacetate
SMILESCOc1ccc(NC(C(=O)OC(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(2)22-18(20)17(14-7-5-4-6-8-14)19-15-9-11-16(21-3)12-10-15/h4-13,17,19H,1-3H3
InChIKeyCTEIJFSXKDOHOZ-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
2-Propen-1-one, 3-((4-methoxyphenyl)amino)-1-phenyl-, (E)-
CID 2189851
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
methyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901605
tert-butyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901606
[(4R,5S)-3-(4-methoxyphenyl)-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413436
Ethyl 2-(4-methoxyanilino)pent-4-enoate
CID 11807040
3-[(4-Ethoxyphenyl)amino]-1-phenyl-2-propen-1-one
CID 2246727
3-[N-(4-methoxyphenyl)carbamoyl]-2-[(phenylethyl)amino]propanoic acid
CID 4749338
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 4880243
N-Phenylacetyl-glycin-p-anisidid
CID 9412035

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate?
The IUPAC name of propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate (CID 102078698) is propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate.
What is the SMILES notation for propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate?
The canonical SMILES for propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate is COc1ccc(NC(C(=O)OC(C)C)c2ccccc2)cc1.
What is the InChIKey of propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate?
The InChIKey is CTEIJFSXKDOHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(2)22-18(20)17(14-7-5-4-6-8-14)19-15-9-11-16(21-3)12-10-15/h4-13,17,19H,1-3H3.
What are the key properties of propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate?
propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate has a molecular weight of 299.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methoxyanilino)-2-phenylacetate is sourced from PubChem (CID 102078698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).