5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C20H22N2O4 — CID 47848917

IUPAC5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C20H22N2O4/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)21-20(23)18-12-17(26-2)9-10-19(18)22(24)25/h7-13H,3-6H2,1-2H3,(H,21,23)
InChIKeyRBXKYIFGTZPSEO-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.97
Rot. Bonds5

About 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 47848917) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID47848917
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C20H22N2O4/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)21-20(23)18-12-17(26-2)9-10-19(18)22(24)25/h7-13H,3-6H2,1-2H3,(H,21,23)
InChIKeyRBXKYIFGTZPSEO-UHFFFAOYSA-N
XLogP3.97
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.97
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

3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
(2S)-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoic acid
CID 119238250
2-chloro-4-nitro-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 8820241
2-(2-nitrophenyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 26419609
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 31442688
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078024
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 133188704

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 47848917) is 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is COc1ccc([N+](=O)[O-])c(C(=O)NC(C)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is RBXKYIFGTZPSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)21-20(23)18-12-17(26-2)9-10-19(18)22(24)25/h7-13H,3-6H2,1-2H3,(H,21,23).
What are the key properties of 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 47848917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).