N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H28N2O2 — CID 17081982

IUPACN-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
InChIInChI=1S/C20H28N2O2/c1-2-15-9-11-18(12-10-15)22-14-16(13-19(22)23)20(24)21-17-7-5-3-4-6-8-17/h9-12,16-17H,2-8,13-14H2,1H3,(H,21,24)
InChIKeyMLFNWZWXDRZFEY-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.44
Rot. Bonds4

About N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17081982) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17081982
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
InChIInChI=1S/C20H28N2O2/c1-2-15-9-11-18(12-10-15)22-14-16(13-19(22)23)20(24)21-17-7-5-3-4-6-8-17/h9-12,16-17H,2-8,13-14H2,1H3,(H,21,24)
InChIKeyMLFNWZWXDRZFEY-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189874
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
N-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558971
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17081982) is N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)cc1.
What is the InChIKey of N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MLFNWZWXDRZFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-15-9-11-18(12-10-15)22-14-16(13-19(22)23)20(24)21-17-7-5-3-4-6-8-17/h9-12,16-17H,2-8,13-14H2,1H3,(H,21,24).
What are the key properties of N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17081982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).