N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C20H28N2O3 — CID 4108711

IUPACN-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H28N2O3/c1-20(19(24)21-16-8-4-3-5-9-16)12-11-18(23)22(20)14-15-7-6-10-17(13-15)25-2/h6-7,10,13,16H,3-5,8-9,11-12,14H2,1-2H3,(H,21,24)
InChIKeyNLTFITPHNKWARL-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.03
Rot. Bonds5

About N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 4108711) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID4108711
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H28N2O3/c1-20(19(24)21-16-8-4-3-5-9-16)12-11-18(23)22(20)14-15-7-6-10-17(13-15)25-2/h6-7,10,13,16H,3-5,8-9,11-12,14H2,1-2H3,(H,21,24)
InChIKeyNLTFITPHNKWARL-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 4108711) is N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1cccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NLTFITPHNKWARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-20(19(24)21-16-8-4-3-5-9-16)12-11-18(23)22(20)14-15-7-6-10-17(13-15)25-2/h6-7,10,13,16H,3-5,8-9,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(3-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4108711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).