N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide

C21H22N2O2 — CID 6623034

IUPACN-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCOc1cccc(CNC(=O)C(Cc2ccccc2)n2cccc2)c1
InChIInChI=1S/C21H22N2O2/c1-25-19-11-7-10-18(14-19)16-22-21(24)20(23-12-5-6-13-23)15-17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3,(H,22,24)
InChIKeyQMJBCHFGWOITNZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.60
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide

N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 6623034) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
PubChem CID6623034
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCOc1cccc(CNC(=O)C(Cc2ccccc2)n2cccc2)c1
InChIInChI=1S/C21H22N2O2/c1-25-19-11-7-10-18(14-19)16-22-21(24)20(23-12-5-6-13-23)15-17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3,(H,22,24)
InChIKeyQMJBCHFGWOITNZ-UHFFFAOYSA-N
XLogP3.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide (CID 6623034) is N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide is COc1cccc(CNC(=O)C(Cc2ccccc2)n2cccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide?
The InChIKey is QMJBCHFGWOITNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-19-11-7-10-18(14-19)16-22-21(24)20(23-12-5-6-13-23)15-17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3,(H,22,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide?
N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 6623034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).