N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide

C15H25N3O2 — CID 81053044

IUPACN-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
SMILESCCOCCN(C)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-3-20-12-11-18(2)10-4-5-15(19)17-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19)
InChIKeyMLZCFTIELAWVKX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.96
Rot. Bonds9

About N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide

N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide (PubChem CID 81053044) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
PubChem CID81053044
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
SMILESCCOCCN(C)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-3-20-12-11-18(2)10-4-5-15(19)17-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19)
InChIKeyMLZCFTIELAWVKX-UHFFFAOYSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773
N-(4-aminophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61444637
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978
N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374573
N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985414
N-(4-aminophenyl)-3-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79844997
4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
CID 103101347
N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81052724
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
4-ethoxy-N-phenylbutanamide
CID 112728021

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide?
The IUPAC name of N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide (CID 81053044) is N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide is CCOCCN(C)CCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide?
The InChIKey is MLZCFTIELAWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-20-12-11-18(2)10-4-5-15(19)17-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide?
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide is sourced from PubChem (CID 81053044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).