1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C19H26N2O3 — CID 42681012

IUPAC1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(C(=O)C2CC2)CC1C(=O)NC(C)C
InChIInChI=1S/C19H26N2O3/c1-12(2)20-18(22)16-11-21(19(23)13-8-9-13)10-15(16)14-6-4-5-7-17(14)24-3/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,20,22)
InChIKeyCOJUXCZDJJSHNY-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.17
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 42681012) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID42681012
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(C(=O)C2CC2)CC1C(=O)NC(C)C
InChIInChI=1S/C19H26N2O3/c1-12(2)20-18(22)16-11-21(19(23)13-8-9-13)10-15(16)14-6-4-5-7-17(14)24-3/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,20,22)
InChIKeyCOJUXCZDJJSHNY-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 42681012) is 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is COc1ccccc1C1CN(C(=O)C2CC2)CC1C(=O)NC(C)C.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is COJUXCZDJJSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)20-18(22)16-11-21(19(23)13-8-9-13)10-15(16)14-6-4-5-7-17(14)24-3/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,20,22).
What are the key properties of 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42681012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).