2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride

C21H29Cl2N3O2 — CID 120948938

IUPAC2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN(Cc1ccccc1)Cc1ccccc1)NCC1CNCC1O
InChIInChI=1S/C21H27N3O2.2ClH/c25-20-13-22-11-19(20)12-23-21(26)16-24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18;;/h1-10,19-20,22,25H,11-16H2,(H,23,26);2*1H
InChIKeyXIOXHJMRWAMMTR-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.23
Rot. Bonds8

About 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride

2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride (PubChem CID 120948938) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
PubChem CID120948938
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN(Cc1ccccc1)Cc1ccccc1)NCC1CNCC1O
InChIInChI=1S/C21H27N3O2.2ClH/c25-20-13-22-11-19(20)12-23-21(26)16-24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18;;/h1-10,19-20,22,25H,11-16H2,(H,23,26);2*1H
InChIKeyXIOXHJMRWAMMTR-UHFFFAOYSA-N
XLogP2.23
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032
2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 120947067
2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride
CID 120943741
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 120945393
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide;dihydrochloride
CID 120945928
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944095
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948074
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide;hydrochloride
CID 120946086

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride (CID 120948938) is 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride is Cl.Cl.O=C(CN(Cc1ccccc1)Cc1ccccc1)NCC1CNCC1O.
What is the InChIKey of 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The InChIKey is XIOXHJMRWAMMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c25-20-13-22-11-19(20)12-23-21(26)16-24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18;;/h1-10,19-20,22,25H,11-16H2,(H,23,26);2*1H.
What are the key properties of 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120948938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).