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

C16H27Cl2N3O2 — CID 120504219

IUPAC3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
SMILESCOc1ccccc1N1CCC(NC(=O)C(C)C(C)N)C1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-11(12(2)17)16(20)18-13-8-9-19(10-13)14-6-4-5-7-15(14)21-3;;/h4-7,11-13H,8-10,17H2,1-3H3,(H,18,20);2*1H
InChIKeyNHBAGDBTPBWEQB-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.22
Rot. Bonds5

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

3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride (PubChem CID 120504219) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
PubChem CID120504219
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC Name3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
SMILESCOc1ccccc1N1CCC(NC(=O)C(C)C(C)N)C1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-11(12(2)17)16(20)18-13-8-9-19(10-13)14-6-4-5-7-15(14)21-3;;/h4-7,11-13H,8-10,17H2,1-3H3,(H,18,20);2*1H
InChIKeyNHBAGDBTPBWEQB-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 136514303
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120597288
(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 124609038
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride (CID 120504219) is 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride is COc1ccccc1N1CCC(NC(=O)C(C)C(C)N)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride?
The InChIKey is NHBAGDBTPBWEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-11(12(2)17)16(20)18-13-8-9-19(10-13)14-6-4-5-7-15(14)21-3;;/h4-7,11-13H,8-10,17H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120504219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).