1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide

C17H22N2O3 — CID 42828347

IUPAC1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(C(C)=O)CC1C(=O)NC1CC1
InChIInChI=1S/C17H22N2O3/c1-11(20)19-9-14(13-5-3-4-6-16(13)22-2)15(10-19)17(21)18-12-7-8-12/h3-6,12,14-15H,7-10H2,1-2H3,(H,18,21)
InChIKeyZEQNBJIFTYOHJA-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.54
Rot. Bonds4

About 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide

1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 42828347) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID42828347
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(C(C)=O)CC1C(=O)NC1CC1
InChIInChI=1S/C17H22N2O3/c1-11(20)19-9-14(13-5-3-4-6-16(13)22-2)15(10-19)17(21)18-12-7-8-12/h3-6,12,14-15H,7-10H2,1-2H3,(H,18,21)
InChIKeyZEQNBJIFTYOHJA-UHFFFAOYSA-N
XLogP1.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide (CID 42828347) is 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide is COc1ccccc1C1CN(C(C)=O)CC1C(=O)NC1CC1.
What is the InChIKey of 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZEQNBJIFTYOHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(20)19-9-14(13-5-3-4-6-16(13)22-2)15(10-19)17(21)18-12-7-8-12/h3-6,12,14-15H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42828347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).