4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C22H28N2O — CID 9142470

IUPAC4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C22H28N2O/c1-17(2)18-9-11-19(12-10-18)22(25)23-15-20-7-3-4-8-21(20)16-24-13-5-6-14-24/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,23,25)
InChIKeyHTPWTRAJBDHSIP-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.34
Rot. Bonds6

About 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9142470) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID9142470
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C22H28N2O/c1-17(2)18-9-11-19(12-10-18)22(25)23-15-20-7-3-4-8-21(20)16-24-13-5-6-14-24/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,23,25)
InChIKeyHTPWTRAJBDHSIP-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 40973564
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8969533
4-(ethylsulfanylmethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 55873848
4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 42121264
N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24551426
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 27333469
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 9069207
4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24516619
3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 9142470) is 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is CC(C)c1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is HTPWTRAJBDHSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17(2)18-9-11-19(12-10-18)22(25)23-15-20-7-3-4-8-21(20)16-24-13-5-6-14-24/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,23,25).
What are the key properties of 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 336.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9142470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).