N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide

C21H26N2O2 — CID 56707945

IUPACN-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
SMILESCc1ccc(C)c(CN2CCC(CNC(=O)c3ccc(O)cc3)C2)c1
InChIInChI=1S/C21H26N2O2/c1-15-3-4-16(2)19(11-15)14-23-10-9-17(13-23)12-22-21(25)18-5-7-20(24)8-6-18/h3-8,11,17,24H,9-10,12-14H2,1-2H3,(H,22,25)
InChIKeyWRWWIVFWXQKMPO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.26
Rot. Bonds5

About N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide

N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide (PubChem CID 56707945) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
PubChem CID56707945
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
SMILESCc1ccc(C)c(CN2CCC(CNC(=O)c3ccc(O)cc3)C2)c1
InChIInChI=1S/C21H26N2O2/c1-15-3-4-16(2)19(11-15)14-23-10-9-17(13-23)12-22-21(25)18-5-7-20(24)8-6-18/h3-8,11,17,24H,9-10,12-14H2,1-2H3,(H,22,25)
InChIKeyWRWWIVFWXQKMPO-UHFFFAOYSA-N
XLogP3.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
1-(2,4-dimethylphenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609275
3-(2-chloroethyl)-1-[(2,5-dimethylphenyl)methyl]pyrrolidine
CID 114800550
3-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]pyrrolidine
CID 114800338
1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
CID 23609271
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230990
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide
CID 56706496
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62591476
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide?
The IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide (CID 56707945) is N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide?
The canonical SMILES for N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide is Cc1ccc(C)c(CN2CCC(CNC(=O)c3ccc(O)cc3)C2)c1.
What is the InChIKey of N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide?
The InChIKey is WRWWIVFWXQKMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-3-4-16(2)19(11-15)14-23-10-9-17(13-23)12-22-21(25)18-5-7-20(24)8-6-18/h3-8,11,17,24H,9-10,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide?
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide is sourced from PubChem (CID 56707945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).