3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

C21H22N2O2 — CID 167782072

IUPAC3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2cccc(OCc3ccccc3)c2)[nH]1
InChIInChI=1S/C21H22N2O2/c1-15-11-16(2)23-20(15)21(24)22-13-18-9-6-10-19(12-18)25-14-17-7-4-3-5-8-17/h3-12,23H,13-14H2,1-2H3,(H,22,24)
InChIKeyNEOYUVNLYMRFIW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.14
Rot. Bonds6

About 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 167782072) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID167782072
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2cccc(OCc3ccccc3)c2)[nH]1
InChIInChI=1S/C21H22N2O2/c1-15-11-16(2)23-20(15)21(24)22-13-18-9-6-10-19(12-18)25-14-17-7-4-3-5-8-17/h3-12,23H,13-14H2,1-2H3,(H,22,24)
InChIKeyNEOYUVNLYMRFIW-UHFFFAOYSA-N
XLogP4.14
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-[(3-phenylmethoxyphenyl)methyl]-2H-benzotriazole-5-carboxamide
CID 60515368
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 55846918
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
N-ethyl-2-[(3-phenylmethoxyphenyl)methylamino]acetamide
CID 69313120
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 167782072) is 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is Cc1cc(C)c(C(=O)NCc2cccc(OCc3ccccc3)c2)[nH]1.
What is the InChIKey of 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NEOYUVNLYMRFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-11-16(2)23-20(15)21(24)22-13-18-9-6-10-19(12-18)25-14-17-7-4-3-5-8-17/h3-12,23H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167782072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).