N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide

C15H25N3O3 — CID 104551240

IUPACN-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCN(C)C(C)CO
InChIInChI=1S/C15H25N3O3/c1-11(10-19)18(2)8-4-5-15(20)17-13-9-12(16)6-7-14(13)21-3/h6-7,9,11,19H,4-5,8,10,16H2,1-3H3,(H,17,20)
InChIKeyHVIRVMVFBBJPHW-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.31
Rot. Bonds8

About N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide

N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide (PubChem CID 104551240) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
PubChem CID104551240
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCN(C)C(C)CO
InChIInChI=1S/C15H25N3O3/c1-11(10-19)18(2)8-4-5-15(20)17-13-9-12(16)6-7-14(13)21-3/h6-7,9,11,19H,4-5,8,10,16H2,1-3H3,(H,17,20)
InChIKeyHVIRVMVFBBJPHW-UHFFFAOYSA-N
XLogP1.31
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985299
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide
CID 113222024
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide (CID 104551240) is N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide is COc1ccc(N)cc1NC(=O)CCCN(C)C(C)CO.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide?
The InChIKey is HVIRVMVFBBJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(10-19)18(2)8-4-5-15(20)17-13-9-12(16)6-7-14(13)21-3/h6-7,9,11,19H,4-5,8,10,16H2,1-3H3,(H,17,20).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide?
N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide has a molecular weight of 295.38 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide is sourced from PubChem (CID 104551240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).