N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide

C20H27N3O2 — CID 113222024

IUPACN-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1cc(N)ccc1OC)Cc1ccccc1
InChIInChI=1S/C20H27N3O2/c1-3-23(15-16-8-5-4-6-9-16)13-7-10-20(24)22-18-14-17(21)11-12-19(18)25-2/h4-6,8-9,11-12,14H,3,7,10,13,15,21H2,1-2H3,(H,22,24)
InChIKeyGKJUBVFXNOKQMP-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.52
Rot. Bonds9

About N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide

N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide (PubChem CID 113222024) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide
PubChem CID113222024
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1cc(N)ccc1OC)Cc1ccccc1
InChIInChI=1S/C20H27N3O2/c1-3-23(15-16-8-5-4-6-9-16)13-7-10-20(24)22-18-14-17(21)11-12-19(18)25-2/h4-6,8-9,11-12,14H,3,7,10,13,15,21H2,1-2H3,(H,22,24)
InChIKeyGKJUBVFXNOKQMP-UHFFFAOYSA-N
XLogP3.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
CID 104551240
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507
N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985299
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide (CID 113222024) is N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide is CCN(CCCC(=O)Nc1cc(N)ccc1OC)Cc1ccccc1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide?
The InChIKey is GKJUBVFXNOKQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-23(15-16-8-5-4-6-9-16)13-7-10-20(24)22-18-14-17(21)11-12-19(18)25-2/h4-6,8-9,11-12,14H,3,7,10,13,15,21H2,1-2H3,(H,22,24).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide?
N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide has a molecular weight of 341.46 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide is sourced from PubChem (CID 113222024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).