N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C24H30N2O2 — CID 126425605

IUPACN-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(NC[C@H]1CCCCO1)c1ccc(-c2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C24H30N2O2/c27-24(25-17-23-8-1-4-15-28-23)21-11-9-20(10-12-21)22-7-5-6-19(16-22)18-26-13-2-3-14-26/h5-7,9-12,16,23H,1-4,8,13-15,17-18H2,(H,25,27)/t23-/m1/s1
InChIKeyFSSPYITVWUCVIT-HSZRJFAPSA-N
MW378.52 g/mol
LogP4.25
Rot. Bonds6

About N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide

N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 126425605) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID126425605
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(NC[C@H]1CCCCO1)c1ccc(-c2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C24H30N2O2/c27-24(25-17-23-8-1-4-15-28-23)21-11-9-20(10-12-21)22-7-5-6-19(16-22)18-26-13-2-3-14-26/h5-7,9-12,16,23H,1-4,8,13-15,17-18H2,(H,25,27)/t23-/m1/s1
InChIKeyFSSPYITVWUCVIT-HSZRJFAPSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide
CID 90649436
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92987604
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
1-[(3-bromophenyl)methyl]-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43925624
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
2-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137795
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
2-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 70846212
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 126425605) is N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide is O=C(NC[C@H]1CCCCO1)c1ccc(-c2cccc(CN3CCCC3)c2)cc1.
What is the InChIKey of N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is FSSPYITVWUCVIT-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24(25-17-23-8-1-4-15-28-23)21-11-9-20(10-12-21)22-7-5-6-19(16-22)18-26-13-2-3-14-26/h5-7,9-12,16,23H,1-4,8,13-15,17-18H2,(H,25,27)/t23-/m1/s1.
What are the key properties of N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 126425605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).