2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride

C21H29Cl2N3O2 — CID 120596259

IUPAC2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
SMILESCOc1ccccc1N1CCC(CNC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-21(22,17-8-4-3-5-9-17)20(25)23-14-16-12-13-24(15-16)18-10-6-7-11-19(18)26-2;;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);2*1H
InChIKeyXRMNMTLJENOTRI-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.36
Rot. Bonds6

About 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120596259) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120596259
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
SMILESCOc1ccccc1N1CCC(CNC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-21(22,17-8-4-3-5-9-17)20(25)23-14-16-12-13-24(15-16)18-10-6-7-11-19(18)26-2;;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);2*1H
InChIKeyXRMNMTLJENOTRI-UHFFFAOYSA-N
XLogP3.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120597288
2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120595897
3-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953556
4-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565194
1-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111948607
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119870926
7-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]heptanamide
CID 119870913
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 125135335
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 95141065
3-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119870931

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride (CID 120596259) is 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride is COc1ccccc1N1CCC(CNC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is XRMNMTLJENOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-21(22,17-8-4-3-5-9-17)20(25)23-14-16-12-13-24(15-16)18-10-6-7-11-19(18)26-2;;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120596259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).