[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

C24H30N2O6 — CID 5099591

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1OCC
InChIInChI=1S/C24H30N2O6/c1-5-30-20-13-12-18(14-21(20)31-6-2)24(29)25-15-23(28)32-16-22(27)26(17(3)4)19-10-8-7-9-11-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,25,29)
InChIKeySHKUTTSXXYTWPF-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.20
Rot. Bonds11

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (PubChem CID 5099591) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
PubChem CID5099591
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1OCC
InChIInChI=1S/C24H30N2O6/c1-5-30-20-13-12-18(14-21(20)31-6-2)24(29)25-15-23(28)32-16-22(27)26(17(3)4)19-10-8-7-9-11-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,25,29)
InChIKeySHKUTTSXXYTWPF-UHFFFAOYSA-N
XLogP3.20
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662774
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29197914
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827325
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884679
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (CID 5099591) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1OCC.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The InChIKey is SHKUTTSXXYTWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-5-30-20-13-12-18(14-21(20)31-6-2)24(29)25-15-23(28)32-16-22(27)26(17(3)4)19-10-8-7-9-11-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,25,29).
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate has a molecular weight of 442.51 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is sourced from PubChem (CID 5099591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).