4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide

C16H20N4O3 — CID 120593856

IUPAC4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Oc2nccc(C)n2)cc1
InChIInChI=1S/C16H20N4O3/c1-11-7-8-18-16(19-11)23-13-5-3-12(4-6-13)20-15(21)9-14(10-17)22-2/h3-8,14H,9-10,17H2,1-2H3,(H,20,21)
InChIKeyWWVMWKGOJZAUOI-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.88
Rot. Bonds7

About 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide

4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide (PubChem CID 120593856) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide
PubChem CID120593856
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Oc2nccc(C)n2)cc1
InChIInChI=1S/C16H20N4O3/c1-11-7-8-18-16(19-11)23-13-5-3-12(4-6-13)20-15(21)9-14(10-17)22-2/h3-8,14H,9-10,17H2,1-2H3,(H,20,21)
InChIKeyWWVMWKGOJZAUOI-UHFFFAOYSA-N
XLogP1.88
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
CID 120592361
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
CID 120590818
4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride
CID 120597132
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812384
4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
CID 120589330
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide (CID 120593856) is 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide is COC(CN)CC(=O)Nc1ccc(Oc2nccc(C)n2)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide?
The InChIKey is WWVMWKGOJZAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-7-8-18-16(19-11)23-13-5-3-12(4-6-13)20-15(21)9-14(10-17)22-2/h3-8,14H,9-10,17H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide?
4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide has a molecular weight of 316.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide is sourced from PubChem (CID 120593856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).