N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide

C23H22N2O4 — CID 55876472

IUPACN-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H22N2O4/c1-16(20-9-6-10-21(15-20)25(27)28)24-23(26)17(2)29-22-13-11-19(12-14-22)18-7-4-3-5-8-18/h3-17H,1-2H3,(H,24,26)
InChIKeyQSGDQQAKEJUCAE-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.91
Rot. Bonds7

About N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide

N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide (PubChem CID 55876472) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide
PubChem CID55876472
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H22N2O4/c1-16(20-9-6-10-21(15-20)25(27)28)24-23(26)17(2)29-22-13-11-19(12-14-22)18-7-4-3-5-8-18/h3-17H,1-2H3,(H,24,26)
InChIKeyQSGDQQAKEJUCAE-UHFFFAOYSA-N
XLogP4.91
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
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

(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677
N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
3-amino-2-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 55104277
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119287279
3-amino-4-[1-(3-nitrophenyl)ethylamino]-4-oxobutanoic acid
CID 64895714
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
CID 4951357
2-amino-3-methyl-N-[1-(3-nitrophenyl)ethyl]pentanamide
CID 60927746
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 135682567
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide (CID 55876472) is N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)NC(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide?
The InChIKey is QSGDQQAKEJUCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16(20-9-6-10-21(15-20)25(27)28)24-23(26)17(2)29-22-13-11-19(12-14-22)18-7-4-3-5-8-18/h3-17H,1-2H3,(H,24,26).
What are the key properties of N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide?
N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide has a molecular weight of 390.44 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 55876472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).