4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C15H22ClN3O3 — CID 119534238

IUPAC4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.NC(=O)COc1ccc(C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C15H21N3O3.ClH/c16-14(19)10-21-13-3-1-12(2-4-13)15(20)18-8-6-11-5-7-17-9-11;/h1-4,11,17H,5-10H2,(H2,16,19)(H,18,20);1H
InChIKeyMQFLCQYLRABVDS-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.70
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119534238) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119534238
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.NC(=O)COc1ccc(C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C15H21N3O3.ClH/c16-14(19)10-21-13-3-1-12(2-4-13)15(20)18-8-6-11-5-7-17-9-11;/h1-4,11,17H,5-10H2,(H2,16,19)(H,18,20);1H
InChIKeyMQFLCQYLRABVDS-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534239
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537467
4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536052
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119534238) is 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cl.NC(=O)COc1ccc(C(=O)NCCC2CCNC2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is MQFLCQYLRABVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c16-14(19)10-21-13-3-1-12(2-4-13)15(20)18-8-6-11-5-7-17-9-11;/h1-4,11,17H,5-10H2,(H2,16,19)(H,18,20);1H.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119534238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).