3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C14H20N2O3 — CID 120945188

IUPAC3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESCCOc1cccc(C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C14H20N2O3/c1-2-19-12-5-3-4-10(6-12)14(18)16-8-11-7-15-9-13(11)17/h3-6,11,13,15,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyAJJZHJMUJVGBJB-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.40
Rot. Bonds5

About 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120945188) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120945188
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESCCOc1cccc(C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C14H20N2O3/c1-2-19-12-5-3-4-10(6-12)14(18)16-8-11-7-15-9-13(11)17/h3-6,11,13,15,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyAJJZHJMUJVGBJB-UHFFFAOYSA-N
XLogP0.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 120946250
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 120948505
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943608
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120946950
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120945188) is 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is CCOc1cccc(C(=O)NCC2CNCC2O)c1.
What is the InChIKey of 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is AJJZHJMUJVGBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-12-5-3-4-10(6-12)14(18)16-8-11-7-15-9-13(11)17/h3-6,11,13,15,17H,2,7-9H2,1H3,(H,16,18).
What are the key properties of 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120945188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).