N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide

C19H22N2O2 — CID 72544793

IUPACN-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccccc1OCc1ccccc1)C1CCNC1
InChIInChI=1S/C19H22N2O2/c1-21(16-11-12-20-13-16)19(22)17-9-5-6-10-18(17)23-14-15-7-3-2-4-8-15/h2-10,16,20H,11-14H2,1H3
InChIKeyJCFJTSVUHLUUEI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide

N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide (PubChem CID 72544793) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
PubChem CID72544793
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccccc1OCc1ccccc1)C1CCNC1
InChIInChI=1S/C19H22N2O2/c1-21(16-11-12-20-13-16)19(22)17-9-5-6-10-18(17)23-14-15-7-3-2-4-8-15/h2-10,16,20H,11-14H2,1H3
InChIKeyJCFJTSVUHLUUEI-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552537
2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119553751
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide
CID 135113679
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
2-(2-phenylmethoxyphenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119825911

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide (CID 72544793) is N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1ccccc1OCc1ccccc1)C1CCNC1.
What is the InChIKey of N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide?
The InChIKey is JCFJTSVUHLUUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21(16-11-12-20-13-16)19(22)17-9-5-6-10-18(17)23-14-15-7-3-2-4-8-15/h2-10,16,20H,11-14H2,1H3.
What are the key properties of N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide?
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 72544793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).