[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

C27H28N2O6 — CID 29197914

IUPAC[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C27H28N2O6/c1-3-33-23-15-12-21(16-24(23)34-4-2)27(32)28-17-26(31)35-18-25(30)29-22-13-10-20(11-14-22)19-8-6-5-7-9-19/h5-16H,3-4,17-18H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyRCGZZQPKXJOVGQ-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.06
Rot. Bonds11

About [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (PubChem CID 29197914) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
PubChem CID29197914
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC Name[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C27H28N2O6/c1-3-33-23-15-12-21(16-24(23)34-4-2)27(32)28-17-26(31)35-18-25(30)29-22-13-10-20(11-14-22)19-8-6-5-7-9-19/h5-16H,3-4,17-18H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyRCGZZQPKXJOVGQ-UHFFFAOYSA-N
XLogP4.06
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29155297
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 5099591
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885307
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 30029948
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29154774

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (CID 29197914) is [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC.
What is the InChIKey of [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The InChIKey is RCGZZQPKXJOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6/c1-3-33-23-15-12-21(16-24(23)34-4-2)27(32)28-17-26(31)35-18-25(30)29-22-13-10-20(11-14-22)19-8-6-5-7-9-19/h5-16H,3-4,17-18H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate has a molecular weight of 476.53 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is sourced from PubChem (CID 29197914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).