N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide

C15H25N3O2 — CID 63696461

IUPACN-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
SMILESCCOCCN(CC)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(10-11-20-5-2)12(3)15(19)17-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeySZJJMZXJWBEVEJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.95
Rot. Bonds8

About N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide

N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide (PubChem CID 63696461) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
PubChem CID63696461
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
SMILESCCOCCN(CC)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(10-11-20-5-2)12(3)15(19)17-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeySZJJMZXJWBEVEJ-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.95
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-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696100
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
bromomethane;ethyl 4-[2-(diethylamino)propanoylamino]benzoate
CID 3026437
N-[4-(difluoromethoxy)phenyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881217
3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326722
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61450272
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-(4-aminophenyl)-3-(diethylamino)butanamide
CID 57129481

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide?
The IUPAC name of N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide (CID 63696461) is N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide is CCOCCN(CC)C(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide?
The InChIKey is SZJJMZXJWBEVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18(10-11-20-5-2)12(3)15(19)17-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide?
N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide is sourced from PubChem (CID 63696461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).