4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride

C13H29Cl2N3O3 — CID 120596410

IUPAC4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
SMILESCOCCN1CCCC1CNC(=O)CC(CN)OC.Cl.Cl
InChIInChI=1S/C13H27N3O3.2ClH/c1-18-7-6-16-5-3-4-11(16)10-15-13(17)8-12(9-14)19-2;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H
InChIKeyQIHAXVSCQVKSCH-UHFFFAOYSA-N
MW346.30 g/mol
LogP0.42
Rot. Bonds9

About 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride (PubChem CID 120596410) has the molecular formula C13H29Cl2N3O3 and a molecular weight of 346.30 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
PubChem CID120596410
Molecular FormulaC13H29Cl2N3O3
Molecular Weight346.30 g/mol
Exact Mass345.16
IUPAC Name4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
SMILESCOCCN1CCCC1CNC(=O)CC(CN)OC.Cl.Cl
InChIInChI=1S/C13H27N3O3.2ClH/c1-18-7-6-16-5-3-4-11(16)10-15-13(17)8-12(9-14)19-2;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H
InChIKeyQIHAXVSCQVKSCH-UHFFFAOYSA-N
XLogP0.42
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 119874866
2-(1-hydroxycyclopentyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 111430877
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119874871
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119874861
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 120596413
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 120595508
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178748
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 115716465
(2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940954
(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
CID 106026147

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride (CID 120596410) is 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride is COCCN1CCCC1CNC(=O)CC(CN)OC.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride?
The InChIKey is QIHAXVSCQVKSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3.2ClH/c1-18-7-6-16-5-3-4-11(16)10-15-13(17)8-12(9-14)19-2;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 120596410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).