2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide

C21H27N3O3 — CID 118784879

IUPAC2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(OCCN)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-7-8-19(20(13-18)27-12-10-22)21(25)23-17-9-11-24(15-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14-15,22H2,1H3,(H,23,25)
InChIKeySPJQIWJUZZTPKU-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.04
Rot. Bonds8

About 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide

2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide (PubChem CID 118784879) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
PubChem CID118784879
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(OCCN)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-7-8-19(20(13-18)27-12-10-22)21(25)23-17-9-11-24(15-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14-15,22H2,1H3,(H,23,25)
InChIKeySPJQIWJUZZTPKU-UHFFFAOYSA-N
XLogP2.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
CID 44533094
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-benzamido-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxybenzamide
CID 10623982
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide (CID 118784879) is 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(OCCN)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide?
The InChIKey is SPJQIWJUZZTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-7-8-19(20(13-18)27-12-10-22)21(25)23-17-9-11-24(15-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14-15,22H2,1H3,(H,23,25).
What are the key properties of 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide?
2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide has a molecular weight of 369.47 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 118784879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).