N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide

C15H25N3O2S — CID 115985299

IUPACN-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCN(C)CCSC
InChIInChI=1S/C15H25N3O2S/c1-18(9-10-21-3)8-4-5-15(19)17-13-11-12(16)6-7-14(13)20-2/h6-7,11H,4-5,8-10,16H2,1-3H3,(H,17,19)
InChIKeySPQRPJVNTFHQCZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.29
Rot. Bonds9

About N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide

N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide (PubChem CID 115985299) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
PubChem CID115985299
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCN(C)CCSC
InChIInChI=1S/C15H25N3O2S/c1-18(9-10-21-3)8-4-5-15(19)17-13-11-12(16)6-7-14(13)20-2/h6-7,11H,4-5,8-10,16H2,1-3H3,(H,17,19)
InChIKeySPQRPJVNTFHQCZ-UHFFFAOYSA-N
XLogP2.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
CID 104551240
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454
N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide
CID 113222024
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide (CID 115985299) is N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide is COc1ccc(N)cc1NC(=O)CCCN(C)CCSC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide?
The InChIKey is SPQRPJVNTFHQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-18(9-10-21-3)8-4-5-15(19)17-13-11-12(16)6-7-14(13)20-2/h6-7,11H,4-5,8-10,16H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide?
N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide has a molecular weight of 311.45 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide is sourced from PubChem (CID 115985299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).