N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide

C18H21N3O3 — CID 119165284

IUPACN-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCCc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H21N3O3/c1-13(16-4-3-5-17(12-16)20-14(2)22)19-11-10-15-6-8-18(9-7-15)21(23)24/h3-9,12-13,19H,10-11H2,1-2H3,(H,20,22)
InChIKeyXFTWZJIAMCZDLT-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.45
Rot. Bonds7

About N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide

N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide (PubChem CID 119165284) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide
PubChem CID119165284
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCCc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H21N3O3/c1-13(16-4-3-5-17(12-16)20-14(2)22)19-11-10-15-6-8-18(9-7-15)21(23)24/h3-9,12-13,19H,10-11H2,1-2H3,(H,20,22)
InChIKeyXFTWZJIAMCZDLT-UHFFFAOYSA-N
XLogP3.45
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[[4-(methylamino)-3-nitrophenyl]methylamino]ethyl]phenyl]acetamide
CID 56822875
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[3-[(1R)-1-[[4-(methylamino)-3-nitrophenyl]methylamino]ethyl]phenyl]acetamide
CID 95567466
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
N-[2-[1-(4-nitrophenyl)ethylamino]ethyl]acetamide
CID 43297387
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
CID 115900103
N-[(1S)-1-(3-acetamidophenyl)ethyl]-5-nitrofuran-2-carboxamide
CID 37468714
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide
CID 115894505
N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide (CID 119165284) is N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCCc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide?
The InChIKey is XFTWZJIAMCZDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(16-4-3-5-17(12-16)20-14(2)22)19-11-10-15-6-8-18(9-7-15)21(23)24/h3-9,12-13,19H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide?
N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 119165284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).