2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide

C21H24N4O5 — CID 9181628

IUPAC2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)c1ccc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H24N4O5/c1-15(26)16-3-8-19(20(13-16)25(28)29)23(2)14-21(27)22-17-4-6-18(7-5-17)24-9-11-30-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)
InChIKeyZFKVEVNZWAIZAV-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.71
Rot. Bonds7

About 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide

2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 9181628) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID9181628
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)c1ccc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H24N4O5/c1-15(26)16-3-8-19(20(13-16)25(28)29)23(2)14-21(27)22-17-4-6-18(7-5-17)24-9-11-30-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)
InChIKeyZFKVEVNZWAIZAV-UHFFFAOYSA-N
XLogP2.71
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(4-nitroanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354340
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-nitrobenzamide
CID 8960451
2-(4-fluoro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183880
2-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55591008
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-nitrobenzamide
CID 9182724
1-[4-[methyl(2-methylprop-2-enyl)amino]-3-nitrophenyl]ethanone
CID 115967648
(E)-3-[4-(dimethylamino)-3-nitrophenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 6154355
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide
CID 9113931
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 4820765
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide (CID 9181628) is 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide is CC(=O)c1ccc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZFKVEVNZWAIZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-15(26)16-3-8-19(20(13-16)25(28)29)23(2)14-21(27)22-17-4-6-18(7-5-17)24-9-11-30-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,27).
What are the key properties of 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 412.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 9181628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).