4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride

C15H22ClN3O3 — CID 119511609

IUPAC4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCCC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C15H21N3O3.ClH/c16-15(20)11-3-5-13(6-4-11)21-9-7-14(19)18-10-12-2-1-8-17-12;/h3-6,12,17H,1-2,7-10H2,(H2,16,20)(H,18,19);1H
InChIKeyIYEQMMZZWFMOJZ-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.84
Rot. Bonds7

About 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride

4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride (PubChem CID 119511609) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
PubChem CID119511609
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCCC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C15H21N3O3.ClH/c16-15(20)11-3-5-13(6-4-11)21-9-7-14(19)18-10-12-2-1-8-17-12;/h3-6,12,17H,1-2,7-10H2,(H2,16,20)(H,18,19);1H
InChIKeyIYEQMMZZWFMOJZ-UHFFFAOYSA-N
XLogP0.84
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514495
4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514046
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119620022
4-(4-methylsulfonylphenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514677
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133

Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride?
The IUPAC name of 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride (CID 119511609) is 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride?
The canonical SMILES for 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride is Cl.NC(=O)c1ccc(OCCC(=O)NCC2CCCN2)cc1.
What is the InChIKey of 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride?
The InChIKey is IYEQMMZZWFMOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c16-15(20)11-3-5-13(6-4-11)21-9-7-14(19)18-10-12-2-1-8-17-12;/h3-6,12,17H,1-2,7-10H2,(H2,16,20)(H,18,19);1H.
What are the key properties of 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride?
4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride is sourced from PubChem (CID 119511609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).