N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide

C38H42N6O5 — CID 91585208

IUPACN-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(-c2cc3c([nH]2)=CCC(NC(=O)C2CCCN2C(=O)C(CC)c2ccccc2)C=3)cc1)C(=O)c1ncco1
InChIInChI=1S/C38H42N6O5/c1-3-19-43(38(48)36-39-18-21-49-36)24-34(45)40-28-14-12-26(13-15-28)32-23-27-22-29(16-17-31(27)42-32)41-35(46)33-11-8-20-44(33)37(47)30(4-2)25-9-6-5-7-10-25/h5-7,9-10,12-15,17-18,21-23,29-30,33,42H,3-4,8,11,16,19-20,24H2,1-2H3,(H,40,45)(H,41,46)
InChIKeyVFFCNPIWKQKRGU-UHFFFAOYSA-N
MW662.79 g/mol
LogP3.79
Rot. Bonds12

About N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide

N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide (PubChem CID 91585208) has the molecular formula C38H42N6O5 and a molecular weight of 662.79 g/mol. Its IUPAC name is N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide
PubChem CID91585208
Molecular FormulaC38H42N6O5
Molecular Weight662.79 g/mol
Exact Mass662.32
IUPAC NameN-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(-c2cc3c([nH]2)=CCC(NC(=O)C2CCCN2C(=O)C(CC)c2ccccc2)C=3)cc1)C(=O)c1ncco1
InChIInChI=1S/C38H42N6O5/c1-3-19-43(38(48)36-39-18-21-49-36)24-34(45)40-28-14-12-26(13-15-28)32-23-27-22-29(16-17-31(27)42-32)41-35(46)33-11-8-20-44(33)37(47)30(4-2)25-9-6-5-7-10-25/h5-7,9-10,12-15,17-18,21-23,29-30,33,42H,3-4,8,11,16,19-20,24H2,1-2H3,(H,40,45)(H,41,46)
InChIKeyVFFCNPIWKQKRGU-UHFFFAOYSA-N
XLogP3.79
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.79
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide (CID 91585208) is N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide is CCCN(CC(=O)Nc1ccc(-c2cc3c([nH]2)=CCC(NC(=O)C2CCCN2C(=O)C(CC)c2ccccc2)C=3)cc1)C(=O)c1ncco1.
What is the InChIKey of N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide?
The InChIKey is VFFCNPIWKQKRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N6O5/c1-3-19-43(38(48)36-39-18-21-49-36)24-34(45)40-28-14-12-26(13-15-28)32-23-27-22-29(16-17-31(27)42-32)41-35(46)33-11-8-20-44(33)37(47)30(4-2)25-9-6-5-7-10-25/h5-7,9-10,12-15,17-18,21-23,29-30,33,42H,3-4,8,11,16,19-20,24H2,1-2H3,(H,40,45)(H,41,46).
What are the key properties of N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide?
N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide has a molecular weight of 662.79 g/mol, XLogP of 3.79, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-[5-[[1-(2-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-5,6-dihydro-1H-indol-2-yl]anilino]ethyl]-N-propyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 91585208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).