2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide

C15H21N3O4 — CID 78767627

IUPAC2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21N3O4/c1-17(2)14-8-5-11(18(21)22)9-13(14)15(20)16-10-3-6-12(19)7-4-10/h5,8-10,12,19H,3-4,6-7H2,1-2H3,(H,16,20)
InChIKeyDVSQQFFSAAZPQS-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.69
Rot. Bonds4

About 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide

2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide (PubChem CID 78767627) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
PubChem CID78767627
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21N3O4/c1-17(2)14-8-5-11(18(21)22)9-13(14)15(20)16-10-3-6-12(19)7-4-10/h5,8-10,12,19H,3-4,6-7H2,1-2H3,(H,16,20)
InChIKeyDVSQQFFSAAZPQS-UHFFFAOYSA-N
XLogP1.69
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
N-(4-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 43317546
N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
CID 42747482
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(dimethylamino)-5-nitrobenzamide
CID 55518296
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 78767414
2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550783
N-[1-[2-(dimethylamino)-5-nitrobenzoyl]piperidin-4-yl]-4-fluorobenzamide
CID 33010352
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate
CID 55467414
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide (CID 78767627) is 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide?
The InChIKey is DVSQQFFSAAZPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-17(2)14-8-5-11(18(21)22)9-13(14)15(20)16-10-3-6-12(19)7-4-10/h5,8-10,12,19H,3-4,6-7H2,1-2H3,(H,16,20).
What are the key properties of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide?
2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide has a molecular weight of 307.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide is sourced from PubChem (CID 78767627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).