N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide

C23H27N3O — CID 55694833

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H27N3O/c1-18(2)25(3)17-21-9-5-4-8-20(21)16-24-23(27)19-10-12-22(13-11-19)26-14-6-7-15-26/h4-15,18H,16-17H2,1-3H3,(H,24,27)
InChIKeyBJQWNMCZCFHLMF-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.25
Rot. Bonds7

About N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 55694833) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID55694833
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H27N3O/c1-18(2)25(3)17-21-9-5-4-8-20(21)16-24-23(27)19-10-12-22(13-11-19)26-14-6-7-15-26/h4-15,18H,16-17H2,1-3H3,(H,24,27)
InChIKeyBJQWNMCZCFHLMF-UHFFFAOYSA-N
XLogP4.25
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 32603825
3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46470339
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 55695089
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
CID 46456160
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 87003932
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 24541820
2,4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 86986197

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide (CID 55694833) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide is CC(C)N(C)Cc1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is BJQWNMCZCFHLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18(2)25(3)17-21-9-5-4-8-20(21)16-24-23(27)19-10-12-22(13-11-19)26-14-6-7-15-26/h4-15,18H,16-17H2,1-3H3,(H,24,27).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 55694833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).