(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide

C20H18N2O4 — CID 92684735

IUPAC(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H18N2O4/c1-2-18(20(23)21-15-9-6-10-16(13-15)22(24)25)26-19-12-5-8-14-7-3-4-11-17(14)19/h3-13,18H,2H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyKZZRSPDTOSTRFO-GOSISDBHSA-N
MW350.37 g/mol
LogP4.54
Rot. Bonds6

About (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide

(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide (PubChem CID 92684735) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
PubChem CID92684735
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H18N2O4/c1-2-18(20(23)21-15-9-6-10-16(13-15)22(24)25)26-19-12-5-8-14-7-3-4-11-17(14)19/h3-13,18H,2H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyKZZRSPDTOSTRFO-GOSISDBHSA-N
XLogP4.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.54
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)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
(2R)-N-(3-acetamidophenyl)-2-naphthalen-1-yloxybutanamide
CID 92671782
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 21368486
N-(3-fluorophenyl)-2-naphthalen-1-yloxybutanamide
CID 46770418
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
CID 94183984
2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 132651293
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide
CID 94027963
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide?
The IUPAC name of (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide (CID 92684735) is (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide?
The canonical SMILES for (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide?
The InChIKey is KZZRSPDTOSTRFO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-18(20(23)21-15-9-6-10-16(13-15)22(24)25)26-19-12-5-8-14-7-3-4-11-17(14)19/h3-13,18H,2H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide?
(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide has a molecular weight of 350.37 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 92684735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).