[3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene

C40H57N7O9 — CID 144801393

IUPAC[3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene
SMILESCC1CC(C(=O)OCCC(=O)N2CC(O)CC2C(=O)N2CCCCC2C(=O)NC(C)C=O)N(C)C1.Cc1ccccc1.NC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C24H38N4O7.C9H11N3O2.C7H8/c1-15-10-20(26(3)12-15)24(34)35-9-7-21(31)28-13-17(30)11-19(28)23(33)27-8-5-4-6-18(27)22(32)25-16(2)14-29;10-8(13)6-11-9(14)12-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h14-20,30H,4-13H2,1-3H3,(H,25,32);1-5H,6H2,(H2,10,13)(H2,11,12,14);2-6H,1H3
InChIKeyRVWKLBSDPJUWKY-UHFFFAOYSA-N
MW779.94 g/mol
LogP1.59
Rot. Bonds11

About [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene

[3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene (PubChem CID 144801393) has the molecular formula C40H57N7O9 and a molecular weight of 779.94 g/mol. Its IUPAC name is [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene.

Molecular Properties

Compound Name[3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene
PubChem CID144801393
Molecular FormulaC40H57N7O9
Molecular Weight779.94 g/mol
Exact Mass779.42
IUPAC Name[3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene
SMILESCC1CC(C(=O)OCCC(=O)N2CC(O)CC2C(=O)N2CCCCC2C(=O)NC(C)C=O)N(C)C1.Cc1ccccc1.NC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C24H38N4O7.C9H11N3O2.C7H8/c1-15-10-20(26(3)12-15)24(34)35-9-7-21(31)28-13-17(30)11-19(28)23(33)27-8-5-4-6-18(27)22(32)25-16(2)14-29;10-8(13)6-11-9(14)12-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h14-20,30H,4-13H2,1-3H3,(H,25,32);1-5H,6H2,(H2,10,13)(H2,11,12,14);2-6H,1H3
InChIKeyRVWKLBSDPJUWKY-UHFFFAOYSA-N
XLogP1.59
TPSA220.78 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500779.94
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene 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

ethane;2-[(3-ethylphenyl)carbamoylamino]acetamide;[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-methylpyrrolidine-2-carboxylate;toluene
CID 144801382
[3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene
CID 145149991
1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate
CID 145149949
1,3-difluoro-5-methylbenzene;[4-oxo-4-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate;2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 145149997
1-(1-methylpyrrolidine-2-carbonyl)-N-(1-oxopropan-2-yl)piperidine-2-carboxamide
CID 167146705
benzyl (2S)-1-[(2S,4R)-4-hydroxy-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 124772821
[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate
CID 137381959
1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728833
(2S)-1-[(2S,4R)-1-[(2S,3S)-2-[[(2S)-2-[(3-chlorophenyl)carbamoylamino]-3-(3-methylphenyl)propanoyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]-N-[(2S)-1-[(3S,6R)-6-methyl-2-oxo-4-azaspiro[2.4]heptan-4-yl]-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 134322020
[(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate
CID 167146731
(2S)-1-[(2S)-1-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetyl]-4-hydroxypyrrolidine-2-carbonyl]-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 10438090
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975

Frequently Asked Questions

What is the IUPAC name of [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene?
The IUPAC name of [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene (CID 144801393) is [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene.
What is the SMILES notation for [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene?
The canonical SMILES for [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene is CC1CC(C(=O)OCCC(=O)N2CC(O)CC2C(=O)N2CCCCC2C(=O)NC(C)C=O)N(C)C1.Cc1ccccc1.NC(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene?
The InChIKey is RVWKLBSDPJUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O7.C9H11N3O2.C7H8/c1-15-10-20(26(3)12-15)24(34)35-9-7-21(31)28-13-17(30)11-19(28)23(33)27-8-5-4-6-18(27)22(32)25-16(2)14-29;10-8(13)6-11-9(14)12-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h14-20,30H,4-13H2,1-3H3,(H,25,32);1-5H,6H2,(H2,10,13)(H2,11,12,14);2-6H,1H3.
What are the key properties of [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene?
[3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene has a molecular weight of 779.94 g/mol, XLogP of 1.59, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-hydroxy-2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] 1,4-dimethylpyrrolidine-2-carboxylate;2-(phenylcarbamoylamino)acetamide;toluene is sourced from PubChem (CID 144801393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).