N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide

C21H26N2O2 — CID 90619775

IUPACN-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2CCCN2c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)25-20-12-10-17(11-13-20)21(24)22-15-19-9-6-14-23(19)18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3,(H,22,24)
InChIKeyYWKIJIFRDKOCFU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.87
Rot. Bonds6

About N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide

N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 90619775) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide
PubChem CID90619775
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2CCCN2c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)25-20-12-10-17(11-13-20)21(24)22-15-19-9-6-14-23(19)18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3,(H,22,24)
InChIKeyYWKIJIFRDKOCFU-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619767
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619796
2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619780
2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619813
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 154868469
N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 99883074
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide (CID 90619775) is N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC2CCCN2c2ccccc2)cc1.
What is the InChIKey of N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is YWKIJIFRDKOCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)25-20-12-10-17(11-13-20)21(24)22-15-19-9-6-14-23(19)18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide?
N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 90619775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).