N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C25H29N3O3 — CID 50844777

IUPACN-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)c1
InChIInChI=1S/C25H29N3O3/c29-23-16-19(25(31)27-21-10-4-1-2-5-11-21)17-28(23)22-14-8-9-18(15-22)24(30)26-20-12-6-3-7-13-20/h3,6-9,12-15,19,21H,1-2,4-5,10-11,16-17H2,(H,26,30)(H,27,31)
InChIKeyNHAWABFZRCHLPD-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.13
Rot. Bonds5

About N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 50844777) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID50844777
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)c1
InChIInChI=1S/C25H29N3O3/c29-23-16-19(25(31)27-21-10-4-1-2-5-11-21)17-28(23)22-14-8-9-18(15-22)24(30)26-20-12-6-3-7-13-20/h3,6-9,12-15,19,21H,1-2,4-5,10-11,16-17H2,(H,26,30)(H,27,31)
InChIKeyNHAWABFZRCHLPD-UHFFFAOYSA-N
XLogP4.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide
CID 92884772
N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844713
(3S)-N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058153
N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844327
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058167
(3R)-N-(4-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058194
(3S)-N-(5-chloro-2-methylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058157
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058207
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776
3-[(4R)-4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]-N-(4-methylphenyl)benzamide
CID 95058184

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 50844777) is N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1)c1cccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)c1.
What is the InChIKey of N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NHAWABFZRCHLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-23-16-19(25(31)27-21-10-4-1-2-5-11-21)17-28(23)22-14-8-9-18(15-22)24(30)26-20-12-6-3-7-13-20/h3,6-9,12-15,19,21H,1-2,4-5,10-11,16-17H2,(H,26,30)(H,27,31).
What are the key properties of N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 50844777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).