(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide

C21H29N3O3 — CID 92884772

IUPAC(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@@H](C(=O)NC3CCCCCCC3)CC2=O)c1
InChIInChI=1S/C21H29N3O3/c1-15(25)22-18-10-7-11-19(13-18)24-14-16(12-20(24)26)21(27)23-17-8-5-3-2-4-6-9-17/h7,10-11,13,16-17H,2-6,8-9,12,14H2,1H3,(H,22,25)(H,23,27)/t16-/m0/s1
InChIKeyWKDMJPSUUORMAQ-INIZCTEOSA-N
MW371.48 g/mol
LogP3.23
Rot. Bonds4

About (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 92884772) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide
PubChem CID92884772
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@@H](C(=O)NC3CCCCCCC3)CC2=O)c1
InChIInChI=1S/C21H29N3O3/c1-15(25)22-18-10-7-11-19(13-18)24-14-16(12-20(24)26)21(27)23-17-8-5-3-2-4-6-9-17/h7,10-11,13,16-17H,2-6,8-9,12,14H2,1H3,(H,22,25)(H,23,27)/t16-/m0/s1
InChIKeyWKDMJPSUUORMAQ-INIZCTEOSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844777
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727068
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056500

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide (CID 92884772) is (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(N2C[C@@H](C(=O)NC3CCCCCCC3)CC2=O)c1.
What is the InChIKey of (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WKDMJPSUUORMAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(25)22-18-10-7-11-19(13-18)24-14-16(12-20(24)26)21(27)23-17-8-5-3-2-4-6-9-17/h7,10-11,13,16-17H,2-6,8-9,12,14H2,1H3,(H,22,25)(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92884772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).