1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H28N2O2 — CID 3674456

IUPAC1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCC3)C2)cc1
InChIInChI=1S/C20H28N2O2/c1-15-8-10-16(11-9-15)13-21-20(24)17-12-19(23)22(14-17)18-6-4-2-3-5-7-18/h8-11,17-18H,2-7,12-14H2,1H3,(H,21,24)
InChIKeyBBTCMHIJCQOQEO-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.18
Rot. Bonds4

About 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3674456) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3674456
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCC3)C2)cc1
InChIInChI=1S/C20H28N2O2/c1-15-8-10-16(11-9-15)13-21-20(24)17-12-19(23)22(14-17)18-6-4-2-3-5-7-18/h8-11,17-18H,2-7,12-14H2,1H3,(H,21,24)
InChIKeyBBTCMHIJCQOQEO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 3674456) is 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCC3)C2)cc1.
What is the InChIKey of 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BBTCMHIJCQOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-8-10-16(11-9-15)13-21-20(24)17-12-19(23)22(14-17)18-6-4-2-3-5-7-18/h8-11,17-18H,2-7,12-14H2,1H3,(H,21,24).
What are the key properties of 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3674456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).