2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide

C20H24N4O5 — CID 3938181

IUPAC2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N(C)C
InChIInChI=1S/C20H24N4O5/c1-23(2)18-10-7-15(13-17(18)20(26)21-11-4-12-29-3)22-19(25)14-5-8-16(9-6-14)24(27)28/h5-10,13H,4,11-12H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyBJIFZRGQLGKQAF-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.68
Rot. Bonds9

About 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide

2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 3938181) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
PubChem CID3938181
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N(C)C
InChIInChI=1S/C20H24N4O5/c1-23(2)18-10-7-15(13-17(18)20(26)21-11-4-12-29-3)22-19(25)14-5-8-16(9-6-14)24(27)28/h5-10,13H,4,11-12H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyBJIFZRGQLGKQAF-UHFFFAOYSA-N
XLogP2.68
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
N-[4-(dimethylamino)-3-(2-methoxyethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide
CID 42747549
2-(dimethylamino)-N-(2-methoxyethyl)-5-[(4-methylbenzoyl)amino]benzamide
CID 4036231
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
CID 42747482
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
2-(dimethylamino)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-nitrobenzamide
CID 55878556
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide
CID 26160071

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide (CID 3938181) is 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide is COCCCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is BJIFZRGQLGKQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-23(2)18-10-7-15(13-17(18)20(26)21-11-4-12-29-3)22-19(25)14-5-8-16(9-6-14)24(27)28/h5-10,13H,4,11-12H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide?
2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 400.44 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 3938181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).