2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide

C24H23N3O5 — CID 17233582

IUPAC2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O5/c1-17(32-22-14-12-21(13-15-22)27(30)31)24(29)26-20-10-8-19(9-11-20)25-23(28)16-7-18-5-3-2-4-6-18/h2-6,8-15,17H,7,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMBEPCRGOOTYDNY-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.57
Rot. Bonds9

About 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide

2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide (PubChem CID 17233582) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
PubChem CID17233582
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O5/c1-17(32-22-14-12-21(13-15-22)27(30)31)24(29)26-20-10-8-19(9-11-20)25-23(28)16-7-18-5-3-2-4-6-18/h2-6,8-15,17H,7,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMBEPCRGOOTYDNY-UHFFFAOYSA-N
XLogP4.57
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233586
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide (CID 17233582) is 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide?
The InChIKey is MBEPCRGOOTYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-17(32-22-14-12-21(13-15-22)27(30)31)24(29)26-20-10-8-19(9-11-20)25-23(28)16-7-18-5-3-2-4-6-18/h2-6,8-15,17H,7,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide?
2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide has a molecular weight of 433.46 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 17233582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).