1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

C24H28N2O3 — CID 113185562

IUPAC1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C24H28N2O3/c27-23-16-18(17-26(23)20-8-4-1-2-5-9-20)24(28)25-19-12-14-22(15-13-19)29-21-10-6-3-7-11-21/h3,6-7,10-15,18,20H,1-2,4-5,8-9,16-17H2,(H,25,28)
InChIKeyISRGQPUFUTZMAW-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.99
Rot. Bonds5

About 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113185562) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113185562
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C24H28N2O3/c27-23-16-18(17-26(23)20-8-4-1-2-5-9-20)24(28)25-19-12-14-22(15-13-19)29-21-10-6-3-7-11-21/h3,6-7,10-15,18,20H,1-2,4-5,8-9,16-17H2,(H,25,28)
InChIKeyISRGQPUFUTZMAW-UHFFFAOYSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 131906342
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 75401892
1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 87006886

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (CID 113185562) is 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ISRGQPUFUTZMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23-16-18(17-26(23)20-8-4-1-2-5-9-20)24(28)25-19-12-14-22(15-13-19)29-21-10-6-3-7-11-21/h3,6-7,10-15,18,20H,1-2,4-5,8-9,16-17H2,(H,25,28).
What are the key properties of 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113185562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).