3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C22H29ClN2O4 — CID 119514257

IUPAC3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCOc1cc(C(=O)NCC2CCCN2)ccc1OCCOc1ccccc1.Cl
InChIInChI=1S/C22H28N2O4.ClH/c1-2-26-21-15-17(22(25)24-16-18-7-6-12-23-18)10-11-20(21)28-14-13-27-19-8-4-3-5-9-19;/h3-5,8-11,15,18,23H,2,6-7,12-14,16H2,1H3,(H,24,25);1H
InChIKeyBLZNFUPTBHNOTP-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.45
Rot. Bonds10

About 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119514257) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119514257
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Name3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCOc1cc(C(=O)NCC2CCCN2)ccc1OCCOc1ccccc1.Cl
InChIInChI=1S/C22H28N2O4.ClH/c1-2-26-21-15-17(22(25)24-16-18-7-6-12-23-18)10-11-20(21)28-14-13-27-19-8-4-3-5-9-19;/h3-5,8-11,15,18,23H,2,6-7,12-14,16H2,1H3,(H,24,25);1H
InChIKeyBLZNFUPTBHNOTP-UHFFFAOYSA-N
XLogP3.45
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
4-ethoxy-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512043
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide
CID 30689941
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
2-(2-ethoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513373
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
CID 120671025
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119514257) is 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CCOc1cc(C(=O)NCC2CCCN2)ccc1OCCOc1ccccc1.Cl.
What is the InChIKey of 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is BLZNFUPTBHNOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4.ClH/c1-2-26-21-15-17(22(25)24-16-18-7-6-12-23-18)10-11-20(21)28-14-13-27-19-8-4-3-5-9-19;/h3-5,8-11,15,18,23H,2,6-7,12-14,16H2,1H3,(H,24,25);1H.
What are the key properties of 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119514257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).