N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C23H27N3O3 — CID 47722251

IUPACN-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCCN2C(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H27N3O3/c1-16(19-10-6-11-20(15-19)25-17(2)27)24-23(29)21-12-7-13-26(21)22(28)14-18-8-4-3-5-9-18/h3-6,8-11,15-16,21H,7,12-14H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyPENVMQDZANAUHZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.06
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 47722251) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID47722251
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCCN2C(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H27N3O3/c1-16(19-10-6-11-20(15-19)25-17(2)27)24-23(29)21-12-7-13-26(21)22(28)14-18-8-4-3-5-9-18/h3-6,8-11,15-16,21H,7,12-14H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyPENVMQDZANAUHZ-UHFFFAOYSA-N
XLogP3.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 47722251) is N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)C2CCCN2C(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is PENVMQDZANAUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(19-10-6-11-20(15-19)25-17(2)27)24-23(29)21-12-7-13-26(21)22(28)14-18-8-4-3-5-9-18/h3-6,8-11,15-16,21H,7,12-14H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47722251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).