2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide

C14H20N2O3 — CID 43594205

IUPAC2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C14H20N2O3/c1-3-19-12-7-5-4-6-10(12)14(17)16-11-8-15-9-13(11)18-2/h4-7,11,13,15H,3,8-9H2,1-2H3,(H,16,17)/t11?,13-/m0/s1
InChIKeyVLRCAYMOPXTJID-YUZLPWPTSA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds5

About 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide

2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide (PubChem CID 43594205) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
PubChem CID43594205
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C14H20N2O3/c1-3-19-12-7-5-4-6-10(12)14(17)16-11-8-15-9-13(11)18-2/h4-7,11,13,15H,3,8-9H2,1-2H3,(H,16,17)/t11?,13-/m0/s1
InChIKeyVLRCAYMOPXTJID-YUZLPWPTSA-N
XLogP0.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543
N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 74883319
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide
CID 91767092
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide
CID 97308282
N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 43594014
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594211
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978574

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide (CID 43594205) is 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide is CCOc1ccccc1C(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide?
The InChIKey is VLRCAYMOPXTJID-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-12-7-5-4-6-10(12)14(17)16-11-8-15-9-13(11)18-2/h4-7,11,13,15H,3,8-9H2,1-2H3,(H,16,17)/t11?,13-/m0/s1.
What are the key properties of 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide?
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide is sourced from PubChem (CID 43594205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).