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

C20H27Cl2N3O2 — CID 120597288

IUPAC2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
SMILESCOc1ccccc1N1CCC(NC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-20(21,15-8-4-3-5-9-15)19(24)22-16-12-13-23(14-16)17-10-6-7-11-18(17)25-2;;/h3-11,16H,12-14,21H2,1-2H3,(H,22,24);2*1H
InChIKeyXKOJHGMPYPFTQT-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.11
Rot. Bonds5

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

2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120597288) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
PubChem CID120597288
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
SMILESCOc1ccccc1N1CCC(NC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-20(21,15-8-4-3-5-9-15)19(24)22-16-12-13-23(14-16)17-10-6-7-11-18(17)25-2;;/h3-11,16H,12-14,21H2,1-2H3,(H,22,24);2*1H
InChIKeyXKOJHGMPYPFTQT-UHFFFAOYSA-N
XLogP3.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120596351
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120596259
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylpropanamide
CID 62487733
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
CID 120596808
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride (CID 120597288) is 2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride is COc1ccccc1N1CCC(NC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is XKOJHGMPYPFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c1-20(21,15-8-4-3-5-9-15)19(24)22-16-12-13-23(14-16)17-10-6-7-11-18(17)25-2;;/h3-11,16H,12-14,21H2,1-2H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 3.11, 5 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]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120597288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).