N-(4-butylphenyl)-2-(4-nitroanilino)acetamide

C18H21N3O3 — CID 9082113

IUPACN-(4-butylphenyl)-2-(4-nitroanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-2-3-4-14-5-7-16(8-6-14)20-18(22)13-19-15-9-11-17(12-10-15)21(23)24/h5-12,19H,2-4,13H2,1H3,(H,20,22)
InChIKeyKOXQQCNMFHDIPN-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.99
Rot. Bonds8

About N-(4-butylphenyl)-2-(4-nitroanilino)acetamide

N-(4-butylphenyl)-2-(4-nitroanilino)acetamide (PubChem CID 9082113) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(4-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(4-nitroanilino)acetamide
PubChem CID9082113
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(4-butylphenyl)-2-(4-nitroanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-2-3-4-14-5-7-16(8-6-14)20-18(22)13-19-15-9-11-17(12-10-15)21(23)24/h5-12,19H,2-4,13H2,1H3,(H,20,22)
InChIKeyKOXQQCNMFHDIPN-UHFFFAOYSA-N
XLogP3.99
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
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

butyl 4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzoate
CID 9084232
N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3515824
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728
3-nitro-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776908
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 31699865
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
[2-(4-butylanilino)-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 7149114
2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide
CID 3610895
N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
CID 53394071
N-(4-butylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 7034652

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(4-nitroanilino)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(4-nitroanilino)acetamide (CID 9082113) is N-(4-butylphenyl)-2-(4-nitroanilino)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(4-nitroanilino)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(4-nitroanilino)acetamide is CCCCc1ccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(4-nitroanilino)acetamide?
The InChIKey is KOXQQCNMFHDIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-3-4-14-5-7-16(8-6-14)20-18(22)13-19-15-9-11-17(12-10-15)21(23)24/h5-12,19H,2-4,13H2,1H3,(H,20,22).
What are the key properties of N-(4-butylphenyl)-2-(4-nitroanilino)acetamide?
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(4-nitroanilino)acetamide is sourced from PubChem (CID 9082113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).