N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide

C22H23N3O4 — CID 33342098

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)cc1
InChIInChI=1S/C22H23N3O4/c26-21(13-17-3-1-2-4-20(17)25(28)29)24(19-11-12-19)14-15-5-7-16(8-6-15)22(27)23-18-9-10-18/h1-8,18-19H,9-14H2,(H,23,27)
InChIKeyNWHNCKDWUDUABZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.22
Rot. Bonds8

About N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide (PubChem CID 33342098) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
PubChem CID33342098
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)cc1
InChIInChI=1S/C22H23N3O4/c26-21(13-17-3-1-2-4-20(17)25(28)29)24(19-11-12-19)14-15-5-7-16(8-6-15)22(27)23-18-9-10-18/h1-8,18-19H,9-14H2,(H,23,27)
InChIKeyNWHNCKDWUDUABZ-UHFFFAOYSA-N
XLogP3.22
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
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

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18133640
1-N-cyclopropyl-4-N-methyl-4-N-[(2-nitrophenyl)methyl]benzene-1,4-dicarboxamide
CID 178070531
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
3-[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 60844176
4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34279531
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 34178930
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
(2R)-2-[benzyl-[2-(2-nitrophenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100571867

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide (CID 33342098) is N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide?
The InChIKey is NWHNCKDWUDUABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(13-17-3-1-2-4-20(17)25(28)29)24(19-11-12-19)14-15-5-7-16(8-6-15)22(27)23-18-9-10-18/h1-8,18-19H,9-14H2,(H,23,27).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 33342098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).