N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide

C24H31N3O2 — CID 86938278

IUPACN-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1C
InChIInChI=1S/C24H31N3O2/c1-3-29-22-12-11-19(17-18(22)2)24(28)25-23-20(26-13-4-5-14-26)9-8-10-21(23)27-15-6-7-16-27/h8-12,17H,3-7,13-16H2,1-2H3,(H,25,28)
InChIKeyXWMHUAQEHWJNNX-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.85
Rot. Bonds6

About N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide

N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide (PubChem CID 86938278) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
PubChem CID86938278
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1C
InChIInChI=1S/C24H31N3O2/c1-3-29-22-12-11-19(17-18(22)2)24(28)25-23-20(26-13-4-5-14-26)9-8-10-21(23)27-15-6-7-16-27/h8-12,17H,3-7,13-16H2,1-2H3,(H,25,28)
InChIKeyXWMHUAQEHWJNNX-UHFFFAOYSA-N
XLogP4.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide
CID 86938276
N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601
4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
CID 133160362
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate
CID 13123931
4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 86938558
3,4-diethoxy-N-[2-(3-fluoro-4-pyrrolidin-1-ylanilino)-2-oxoethyl]benzamide
CID 55944926

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide (CID 86938278) is N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1C.
What is the InChIKey of N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide?
The InChIKey is XWMHUAQEHWJNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-29-22-12-11-19(17-18(22)2)24(28)25-23-20(26-13-4-5-14-26)9-8-10-21(23)27-15-6-7-16-27/h8-12,17H,3-7,13-16H2,1-2H3,(H,25,28).
What are the key properties of N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide?
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 86938278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).