N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

C22H26N2O2 — CID 110425580

IUPACN-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(C)c(NC(=O)C2CCCN2Cc2cccc(C)c2)c1
InChIInChI=1S/C22H26N2O2/c1-15-6-4-7-18(12-15)14-24-11-5-8-21(24)22(26)23-20-13-19(17(3)25)10-9-16(20)2/h4,6-7,9-10,12-13,21H,5,8,11,14H2,1-3H3,(H,23,26)
InChIKeyVHEHMALOUGOPFW-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.11
Rot. Bonds5

About N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110425580) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID110425580
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(C)c(NC(=O)C2CCCN2Cc2cccc(C)c2)c1
InChIInChI=1S/C22H26N2O2/c1-15-6-4-7-18(12-15)14-24-11-5-8-21(24)22(26)23-20-13-19(17(3)25)10-9-16(20)2/h4,6-7,9-10,12-13,21H,5,8,11,14H2,1-3H3,(H,23,26)
InChIKeyVHEHMALOUGOPFW-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110613673
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 129392844
1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
CID 110427724
methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate
CID 167885152
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
N-(1,1-dioxothiolan-3-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110411792
(2S)-1-benzyl-N-[2-methyl-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 131942321
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110627319
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 110425580) is N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is CC(=O)c1ccc(C)c(NC(=O)C2CCCN2Cc2cccc(C)c2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VHEHMALOUGOPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-6-4-7-18(12-15)14-24-11-5-8-21(24)22(26)23-20-13-19(17(3)25)10-9-16(20)2/h4,6-7,9-10,12-13,21H,5,8,11,14H2,1-3H3,(H,23,26).
What are the key properties of N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110425580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).