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

C19H27Cl2N3O2 — CID 120503030

IUPAC3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
SMILESCC(NC(=O)C(C)C(C)N)c1cccc(OCc2ccccn2)c1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-13(14(2)20)19(23)22-15(3)16-7-6-9-18(11-16)24-12-17-8-4-5-10-21-17;;/h4-11,13-15H,12,20H2,1-3H3,(H,22,23);2*1H
InChIKeyHBRYMYNXGTWTEZ-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.66
Rot. Bonds7

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

3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride (PubChem CID 120503030) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
PubChem CID120503030
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
SMILESCC(NC(=O)C(C)C(C)N)c1cccc(OCc2ccccn2)c1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-13(14(2)20)19(23)22-15(3)16-7-6-9-18(11-16)24-12-17-8-4-5-10-21-17;;/h4-11,13-15H,12,20H2,1-3H3,(H,22,23);2*1H
InChIKeyHBRYMYNXGTWTEZ-UHFFFAOYSA-N
XLogP3.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide
CID 55901739
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
CID 55958530
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
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388
2-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549389
3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902641
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
(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 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride (CID 120503030) is 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride is CC(NC(=O)C(C)C(C)N)c1cccc(OCc2ccccn2)c1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride?
The InChIKey is HBRYMYNXGTWTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-13(14(2)20)19(23)22-15(3)16-7-6-9-18(11-16)24-12-17-8-4-5-10-21-17;;/h4-11,13-15H,12,20H2,1-3H3,(H,22,23);2*1H.
What are the key properties of 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride?
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 120503030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).