N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide

C19H26N2O2 — CID 86771872

IUPACN-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1CN(C(=O)C(C)C)CC1C(=O)NC1CC1
InChIInChI=1S/C19H26N2O2/c1-12(2)19(23)21-10-16(15-7-5-4-6-13(15)3)17(11-21)18(22)20-14-8-9-14/h4-7,12,14,16-17H,8-11H2,1-3H3,(H,20,22)
InChIKeyNQMUKBVPHQRWRO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.47
Rot. Bonds4

About N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide

N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide (PubChem CID 86771872) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
PubChem CID86771872
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1CN(C(=O)C(C)C)CC1C(=O)NC1CC1
InChIInChI=1S/C19H26N2O2/c1-12(2)19(23)21-10-16(15-7-5-4-6-13(15)3)17(11-21)18(22)20-14-8-9-14/h4-7,12,14,16-17H,8-11H2,1-3H3,(H,20,22)
InChIKeyNQMUKBVPHQRWRO-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide (CID 86771872) is N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide is Cc1ccccc1C1CN(C(=O)C(C)C)CC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide?
The InChIKey is NQMUKBVPHQRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12(2)19(23)21-10-16(15-7-5-4-6-13(15)3)17(11-21)18(22)20-14-8-9-14/h4-7,12,14,16-17H,8-11H2,1-3H3,(H,20,22).
What are the key properties of N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide?
N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 86771872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).