N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide

C19H16N2O4 — CID 38741242

IUPACN-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
SMILESO=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12
InChIInChI=1S/C19H16N2O4/c22-19(12-13-25-16-10-8-15(9-11-16)21(23)24)20-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,20,22)
InChIKeyJHCRWZYTAWHVRA-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.16
Rot. Bonds6

About N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide

N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide (PubChem CID 38741242) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
PubChem CID38741242
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
SMILESO=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12
InChIInChI=1S/C19H16N2O4/c22-19(12-13-25-16-10-8-15(9-11-16)21(23)24)20-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,20,22)
InChIKeyJHCRWZYTAWHVRA-UHFFFAOYSA-N
XLogP4.16
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.16
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

N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
[4-(4-nitrophenoxy)phenyl]methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate
CID 126179278
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
CID 108807000
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459
N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-nitrophenoxy)propanamide
CID 78891543
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
3-(4-nitrophenoxy)propanoate
CID 6993075
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
[2-(naphthalen-1-ylamino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2426056
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide?
The IUPAC name of N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide (CID 38741242) is N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide is O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide?
The InChIKey is JHCRWZYTAWHVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-19(12-13-25-16-10-8-15(9-11-16)21(23)24)20-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,20,22).
What are the key properties of N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide?
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide has a molecular weight of 336.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 38741242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).