benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate

C30H30N4O7 — CID 54409738

IUPACbenzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate
SMILESO=C(CN1CCN(C(=O)OCc2ccccc2)CC1=O)Nc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C30H30N4O7/c35-26(18-33-14-15-34(19-27(33)36)30(39)41-21-23-10-5-2-6-11-23)32-25-13-7-12-24(16-25)29(38)31-17-28(37)40-20-22-8-3-1-4-9-22/h1-13,16H,14-15,17-21H2,(H,31,38)(H,32,35)
InChIKeyVTGOHDVHHXECRI-UHFFFAOYSA-N
MW558.59 g/mol
LogP2.58
Rot. Bonds10

About benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate

benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate (PubChem CID 54409738) has the molecular formula C30H30N4O7 and a molecular weight of 558.59 g/mol. Its IUPAC name is benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate
PubChem CID54409738
Molecular FormulaC30H30N4O7
Molecular Weight558.59 g/mol
Exact Mass558.21
IUPAC Namebenzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate
SMILESO=C(CN1CCN(C(=O)OCc2ccccc2)CC1=O)Nc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C30H30N4O7/c35-26(18-33-14-15-34(19-27(33)36)30(39)41-21-23-10-5-2-6-11-23)32-25-13-7-12-24(16-25)29(38)31-17-28(37)40-20-22-8-3-1-4-9-22/h1-13,16H,14-15,17-21H2,(H,31,38)(H,32,35)
InChIKeyVTGOHDVHHXECRI-UHFFFAOYSA-N
XLogP2.58
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.59
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate 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-[[3-[(4-phenylmethoxycarbonylpiperazine-1-carbonyl)amino]benzoyl]amino]acetic acid
CID 57224907
3-[[3-[[2-[(4-phenylmethoxycarbonylpiperazine-1-carbonyl)amino]acetyl]amino]benzoyl]amino]propanoic acid
CID 57271056
benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
CID 39908237
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
2-[[3-[(2-carbamimidoyl-4-phenylmethoxycarbonylpiperazine-1-carbonyl)amino]benzoyl]amino]acetic acid
CID 57219956
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
benzyl 4-(2-cyanoethyl)-3-oxopiperazine-1-carboxylate
CID 71304134
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
benzyl 4-(oxetan-3-ylmethyl)-3-oxopiperazine-1-carboxylate
CID 177125116

Frequently Asked Questions

What is the IUPAC name of benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate (CID 54409738) is benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate is O=C(CN1CCN(C(=O)OCc2ccccc2)CC1=O)Nc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate?
The InChIKey is VTGOHDVHHXECRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O7/c35-26(18-33-14-15-34(19-27(33)36)30(39)41-21-23-10-5-2-6-11-23)32-25-13-7-12-24(16-25)29(38)31-17-28(37)40-20-22-8-3-1-4-9-22/h1-13,16H,14-15,17-21H2,(H,31,38)(H,32,35).
What are the key properties of benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate?
benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate has a molecular weight of 558.59 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-oxo-4-[2-oxo-2-[3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]anilino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 54409738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).