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

C19H26N2O3 — CID 3240955

IUPACN-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C19H26N2O3/c1-24-17-10-6-5-7-14(17)12-21-13-15(11-18(21)22)19(23)20-16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-13H2,1H3,(H,20,23)
InChIKeyDCMVBLNXTOUWQB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.49
Rot. Bonds5

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

N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3240955) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3240955
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C19H26N2O3/c1-24-17-10-6-5-7-14(17)12-21-13-15(11-18(21)22)19(23)20-16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-13H2,1H3,(H,20,23)
InChIKeyDCMVBLNXTOUWQB-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 3240955) is N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DCMVBLNXTOUWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-17-10-6-5-7-14(17)12-21-13-15(11-18(21)22)19(23)20-16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-13H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3240955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).