N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide

C18H26N2O3 — CID 110661764

IUPACN-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCCN2C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C18H26N2O3/c1-12-11-13(8-9-15(12)23-5)16(21)14-7-6-10-20(14)17(22)19-18(2,3)4/h8-9,11,14H,6-7,10H2,1-5H3,(H,19,22)
InChIKeyMFCPNQKMSFASNH-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.16
Rot. Bonds3

About N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide

N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide (PubChem CID 110661764) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide
PubChem CID110661764
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCCN2C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C18H26N2O3/c1-12-11-13(8-9-15(12)23-5)16(21)14-7-6-10-20(14)17(22)19-18(2,3)4/h8-9,11,14H,6-7,10H2,1-5H3,(H,19,22)
InChIKeyMFCPNQKMSFASNH-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide (CID 110661764) is N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide is COc1ccc(C(=O)C2CCCN2C(=O)NC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide?
The InChIKey is MFCPNQKMSFASNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-11-13(8-9-15(12)23-5)16(21)14-7-6-10-20(14)17(22)19-18(2,3)4/h8-9,11,14H,6-7,10H2,1-5H3,(H,19,22).
What are the key properties of N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide?
N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110661764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).