4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride

C18H25Cl2N3O3 — CID 120597132

IUPAC4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1.Cl.Cl
InChIInChI=1S/C18H23N3O3.2ClH/c1-12-6-7-20-18(8-12)24-16-9-14(5-4-13(16)2)21-17(22)10-15(11-19)23-3;;/h4-9,15H,10-11,19H2,1-3H3,(H,21,22);2*1H
InChIKeyFHNHEHKPWCRTPP-UHFFFAOYSA-N
MW402.32 g/mol
LogP3.64
Rot. Bonds7

About 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride (PubChem CID 120597132) has the molecular formula C18H25Cl2N3O3 and a molecular weight of 402.32 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride
PubChem CID120597132
Molecular FormulaC18H25Cl2N3O3
Molecular Weight402.32 g/mol
Exact Mass401.13
IUPAC Name4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1.Cl.Cl
InChIInChI=1S/C18H23N3O3.2ClH/c1-12-6-7-20-18(8-12)24-16-9-14(5-4-13(16)2)21-17(22)10-15(11-19)23-3;;/h4-9,15H,10-11,19H2,1-3H3,(H,21,22);2*1H
InChIKeyFHNHEHKPWCRTPP-UHFFFAOYSA-N
XLogP3.64
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride
CID 119891542
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119891569
5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120592024
4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide
CID 120593856
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119891518
4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
CID 120593058
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]piperidine-3-carboxamide
CID 119891511

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride (CID 120597132) is 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride is COC(CN)CC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride?
The InChIKey is FHNHEHKPWCRTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.2ClH/c1-12-6-7-20-18(8-12)24-16-9-14(5-4-13(16)2)21-17(22)10-15(11-19)23-3;;/h4-9,15H,10-11,19H2,1-3H3,(H,21,22);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride has a molecular weight of 402.32 g/mol, XLogP of 3.64, 7 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-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 120597132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).