2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

C21H26N2O2 — CID 91660317

IUPAC2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCCc1ccccc1C(=O)NCc1ccccc1CN1CCC(O)C1
InChIInChI=1S/C21H26N2O2/c1-2-16-7-5-6-10-20(16)21(25)22-13-17-8-3-4-9-18(17)14-23-12-11-19(24)15-23/h3-10,19,24H,2,11-15H2,1H3,(H,22,25)
InChIKeyKMADVJFAYDUFBD-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.75
Rot. Bonds6

About 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 91660317) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID91660317
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCCc1ccccc1C(=O)NCc1ccccc1CN1CCC(O)C1
InChIInChI=1S/C21H26N2O2/c1-2-16-7-5-6-10-20(16)21(25)22-13-17-8-3-4-9-18(17)14-23-12-11-19(24)15-23/h3-10,19,24H,2,11-15H2,1H3,(H,22,25)
InChIKeyKMADVJFAYDUFBD-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 126768124
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 75476397
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75452688
1,3-diethyl-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110028751
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
2-ethylsulfonyl-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 52610752
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (CID 91660317) is 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is CCc1ccccc1C(=O)NCc1ccccc1CN1CCC(O)C1.
What is the InChIKey of 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is KMADVJFAYDUFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-16-7-5-6-10-20(16)21(25)22-13-17-8-3-4-9-18(17)14-23-12-11-19(24)15-23/h3-10,19,24H,2,11-15H2,1H3,(H,22,25).
What are the key properties of 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 91660317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).