N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide

C22H26N2O3 — CID 131935889

IUPACN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C
InChIInChI=1S/C22H26N2O3/c1-3-14-27-20-9-5-4-8-18(20)21(25)23-19-11-10-17(15-16(19)2)22(26)24-12-6-7-13-24/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3,(H,23,25)
InChIKeyMHIFIKFKWVCRLJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.27
Rot. Bonds6

About N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide

N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide (PubChem CID 131935889) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide
PubChem CID131935889
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C
InChIInChI=1S/C22H26N2O3/c1-3-14-27-20-9-5-4-8-18(20)21(25)23-19-11-10-17(15-16(19)2)22(26)24-12-6-7-13-24/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3,(H,23,25)
InChIKeyMHIFIKFKWVCRLJ-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide?
The IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide (CID 131935889) is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide.
What is the SMILES notation for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide?
The canonical SMILES for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C.
What is the InChIKey of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide?
The InChIKey is MHIFIKFKWVCRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-14-27-20-9-5-4-8-18(20)21(25)23-19-11-10-17(15-16(19)2)22(26)24-12-6-7-13-24/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide?
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide has a molecular weight of 366.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 131935889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).