4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide

C17H24N4O4 — CID 9225803

IUPAC4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H24N4O4/c1-4-20(5-2)16(22)11-19(3)17(23)12-6-9-14(18-13-7-8-13)15(10-12)21(24)25/h6,9-10,13,18H,4-5,7-8,11H2,1-3H3
InChIKeyAAIAXKQQYPJVTI-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.11
Rot. Bonds8

About 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide

4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide (PubChem CID 9225803) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
PubChem CID9225803
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H24N4O4/c1-4-20(5-2)16(22)11-19(3)17(23)12-6-9-14(18-13-7-8-13)15(10-12)21(24)25/h6,9-10,13,18H,4-5,7-8,11H2,1-3H3
InChIKeyAAIAXKQQYPJVTI-UHFFFAOYSA-N
XLogP2.11
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(cyclopropylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9227101
4-(cyclopropylamino)-N-ethyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 78855043
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide
CID 26594047
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide
CID 26678347
4-(cyclopropylamino)-N-methyl-N-[(2-methylphenyl)methyl]-3-nitrobenzamide
CID 9368521
4-(cyclopropylamino)-N-(furan-2-ylmethyl)-N-methyl-3-nitrobenzamide
CID 27739515
4-(cyclopropylamino)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-nitrobenzamide
CID 26994620
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide
CID 112791866
N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide
CID 82993215
4-[(4-ethylcyclohexyl)amino]-3-nitrobenzoic acid
CID 63537170
5-[[[4-(cyclopropylamino)-3-nitrobenzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222647
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide (CID 9225803) is 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide is CCN(CC)C(=O)CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide?
The InChIKey is AAIAXKQQYPJVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-4-20(5-2)16(22)11-19(3)17(23)12-6-9-14(18-13-7-8-13)15(10-12)21(24)25/h6,9-10,13,18H,4-5,7-8,11H2,1-3H3.
What are the key properties of 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide?
4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide has a molecular weight of 348.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 9225803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).