2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide

C17H19N5O5 — CID 3610895

IUPAC2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide
SMILESO=C(CNCCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N5O5/c23-17(20-14-4-8-16(9-5-14)22(26)27)12-18-10-1-11-19-13-2-6-15(7-3-13)21(24)25/h2-9,18-19H,1,10-12H2,(H,20,23)
InChIKeyGLKSKWLRJFBCEV-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.53
Rot. Bonds10

About 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide

2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide (PubChem CID 3610895) has the molecular formula C17H19N5O5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide
PubChem CID3610895
Molecular FormulaC17H19N5O5
Molecular Weight373.37 g/mol
Exact Mass373.14
IUPAC Name2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide
SMILESO=C(CNCCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N5O5/c23-17(20-14-4-8-16(9-5-14)22(26)27)12-18-10-1-11-19-13-2-6-15(7-3-13)21(24)25/h2-9,18-19H,1,10-12H2,(H,20,23)
InChIKeyGLKSKWLRJFBCEV-UHFFFAOYSA-N
XLogP2.53
TPSA139.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-[[2-(4-nitroanilino)-2-oxoethyl]amino]butanoic acid
CID 43473746
N-(2,4-dibromo-6-methylphenyl)-2-[3-(4-nitroanilino)propylamino]acetamide
CID 3439991
2-(butylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide;hydrochloride
CID 139650784
N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
2-(benzylamino)-N-(4-nitrophenyl)acetamide
CID 2985655
N-[4-(4-chloroanilino)-4-oxobutyl]-4-(4-nitroanilino)butanamide
CID 55990574
N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 17066812
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide
CID 9082113
5-(4-nitroanilino)pentanoic acid
CID 28972234
4-(4-nitroanilino)-N-prop-2-enylbutanamide
CID 29205202
6-(4-nitroanilino)hexanoic acid
CID 15992782
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide (CID 3610895) is 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide is O=C(CNCCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide?
The InChIKey is GLKSKWLRJFBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5/c23-17(20-14-4-8-16(9-5-14)22(26)27)12-18-10-1-11-19-13-2-6-15(7-3-13)21(24)25/h2-9,18-19H,1,10-12H2,(H,20,23).
What are the key properties of 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide?
2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide has a molecular weight of 373.37 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3610895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).