3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide

C17H25N3O3 — CID 119070601

IUPAC3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
SMILESNCCOc1cccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1
InChIInChI=1S/C17H25N3O3/c18-6-9-23-14-5-3-4-13(10-14)17(21)19-15-11-22-12-16(15)20-7-1-2-8-20/h3-5,10,15-16H,1-2,6-9,11-12,18H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyUDMDGHHNCSNUOU-HOTGVXAUSA-N
MW319.41 g/mol
LogP0.62
Rot. Bonds6

About 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide

3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide (PubChem CID 119070601) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
PubChem CID119070601
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
SMILESNCCOc1cccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1
InChIInChI=1S/C17H25N3O3/c18-6-9-23-14-5-3-4-13(10-14)17(21)19-15-11-22-12-16(15)20-7-1-2-8-20/h3-5,10,15-16H,1-2,6-9,11-12,18H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyUDMDGHHNCSNUOU-HOTGVXAUSA-N
XLogP0.62
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;4-(2-aminoethoxy)-3-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 154903690
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-aminoethoxy)benzamide;hydrochloride
CID 155972251
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
CID 118772644
3-pyrazolo[1,5-a]pyridin-3-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 122570409
acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 154905942
3-(2-methoxyethoxy)-N-(3-morpholin-4-ylcyclobutyl)benzamide
CID 126822652
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 118781498
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
CID 110128022
3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide
CID 133130454
6-cyano-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 91843333
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide (CID 119070601) is 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide is NCCOc1cccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The InChIKey is UDMDGHHNCSNUOU-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25N3O3/c18-6-9-23-14-5-3-4-13(10-14)17(21)19-15-11-22-12-16(15)20-7-1-2-8-20/h3-5,10,15-16H,1-2,6-9,11-12,18H2,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide is sourced from PubChem (CID 119070601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).