4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride

C19H27Cl2N3O3 — CID 120595493

IUPAC4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1cccc(OCc2ccccn2)c1.Cl.Cl
InChIInChI=1S/C19H25N3O3.2ClH/c1-14(22-19(23)11-18(12-20)24-2)15-6-5-8-17(10-15)25-13-16-7-3-4-9-21-16;;/h3-10,14,18H,11-13,20H2,1-2H3,(H,22,23);2*1H
InChIKeyXSVHTURUWWIURS-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.05
Rot. Bonds9

About 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride (PubChem CID 120595493) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
PubChem CID120595493
Molecular FormulaC19H27Cl2N3O3
Molecular Weight416.35 g/mol
Exact Mass415.14
IUPAC Name4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1cccc(OCc2ccccn2)c1.Cl.Cl
InChIInChI=1S/C19H25N3O3.2ClH/c1-14(22-19(23)11-18(12-20)24-2)15-6-5-8-17(10-15)25-13-16-7-3-4-9-21-16;;/h3-10,14,18H,11-13,20H2,1-2H3,(H,22,23);2*1H
InChIKeyXSVHTURUWWIURS-UHFFFAOYSA-N
XLogP3.05
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902641
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55902507
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
CID 103156393
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119852182
3-(1,3-benzothiazol-2-yl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902120
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
(2S,5R)-5-(aminomethyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798285

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride (CID 120595493) is 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride is COC(CN)CC(=O)NC(C)c1cccc(OCc2ccccn2)c1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride?
The InChIKey is XSVHTURUWWIURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.2ClH/c1-14(22-19(23)11-18(12-20)24-2)15-6-5-8-17(10-15)25-13-16-7-3-4-9-21-16;;/h3-10,14,18H,11-13,20H2,1-2H3,(H,22,23);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride has a molecular weight of 416.35 g/mol, XLogP of 3.05, 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-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 120595493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).