4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide

C23H25N3O5 — CID 9280833

IUPAC4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide
SMILESCOCCN(CCOC)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H25N3O5/c1-30-13-11-25(12-14-31-2)21-10-8-19(16-22(21)26(28)29)23(27)24-20-9-7-17-5-3-4-6-18(17)15-20/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)
InChIKeyNIBKBJNELFJZBT-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.10
Rot. Bonds10

About 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide

4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide (PubChem CID 9280833) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide
PubChem CID9280833
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide
SMILESCOCCN(CCOC)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H25N3O5/c1-30-13-11-25(12-14-31-2)21-10-8-19(16-22(21)26(28)29)23(27)24-20-9-7-17-5-3-4-6-18(17)15-20/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)
InChIKeyNIBKBJNELFJZBT-UHFFFAOYSA-N
XLogP4.10
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
CID 26087424
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007
4-ethoxy-N-(naphthalen-2-ylcarbamothioyl)-3-nitrobenzamide
CID 1339508
1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanone
CID 61038514
4-(2-cyanoethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
CID 9107631
4-[2-methoxyethyl(prop-2-enyl)amino]-3-nitrobenzoic acid
CID 103339112
4-bromo-N,N-bis(2-methoxyethyl)-2-nitroaniline
CID 60647488
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide
CID 9113931
N-[4-(dimethylamino)-3-(2-methoxyethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide
CID 42747549
[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 2562569
N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
CID 7900586
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 55320639

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide (CID 9280833) is 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide is COCCN(CCOC)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide?
The InChIKey is NIBKBJNELFJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-30-13-11-25(12-14-31-2)21-10-8-19(16-22(21)26(28)29)23(27)24-20-9-7-17-5-3-4-6-18(17)15-20/h3-10,15-16H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide?
4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide has a molecular weight of 423.47 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide is sourced from PubChem (CID 9280833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).