3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide

C26H22N2O5 — CID 11189942

IUPAC3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccccc3cc2O)cc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H22N2O5/c1-33-25-11-6-17(14-22(25)18-7-9-21(10-8-18)28(31)32)12-13-27-26(30)23-15-19-4-2-3-5-20(19)16-24(23)29/h2-11,14-16,29H,12-13H2,1H3,(H,27,30)
InChIKeyIDGPQAPVSRTZBY-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.10
Rot. Bonds7

About 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide

3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide (PubChem CID 11189942) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide
PubChem CID11189942
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccccc3cc2O)cc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H22N2O5/c1-33-25-11-6-17(14-22(25)18-7-9-21(10-8-18)28(31)32)12-13-27-26(30)23-15-19-4-2-3-5-20(19)16-24(23)29/h2-11,14-16,29H,12-13H2,1H3,(H,27,30)
InChIKeyIDGPQAPVSRTZBY-UHFFFAOYSA-N
XLogP5.10
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.10
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

N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1259055
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide
CID 47845610
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 30889614
3,7-dihydroxy-N-[2-[4-[(4-nitrophenyl)sulfonylamino]phenyl]ethyl]naphthalene-2-carboxamide
CID 18444315
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-nitro-9,10-dioxoanthracene-2-carboxamide
CID 5124367
2-chloro-N-[3-(3,4-dimethoxyphenyl)propyl]-4-nitrobenzamide
CID 48586122
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide
CID 9314825
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-3,5-dinitrobenzamide
CID 4633764
5-(2-chloro-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1424128

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide (CID 11189942) is 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide is COc1ccc(CCNC(=O)c2cc3ccccc3cc2O)cc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide?
The InChIKey is IDGPQAPVSRTZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-33-25-11-6-17(14-22(25)18-7-9-21(10-8-18)28(31)32)12-13-27-26(30)23-15-19-4-2-3-5-20(19)16-24(23)29/h2-11,14-16,29H,12-13H2,1H3,(H,27,30).
What are the key properties of 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide?
3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11189942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).