N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane

C23H33N3O2 — CID 160587911

IUPACN-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
SMILESC.CC(C)CN1CCC(Oc2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C22H29N3O2.CH4/c1-16(2)15-25-13-11-19(12-14-25)27-18-9-7-17(8-10-18)22(26)24-21-6-4-3-5-20(21)23;/h3-10,16,19H,11-15,23H2,1-2H3,(H,24,26);1H4
InChIKeyRCQABSUKSULQJE-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.66
Rot. Bonds6

About N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane

N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane (PubChem CID 160587911) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
PubChem CID160587911
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
SMILESC.CC(C)CN1CCC(Oc2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C22H29N3O2.CH4/c1-16(2)15-25-13-11-19(12-14-25)27-18-9-7-17(8-10-18)22(26)24-21-6-4-3-5-20(21)23;/h3-10,16,19H,11-15,23H2,1-2H3,(H,24,26);1H4
InChIKeyRCQABSUKSULQJE-UHFFFAOYSA-N
XLogP4.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane?
The IUPAC name of N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane (CID 160587911) is N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane.
What is the SMILES notation for N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane?
The canonical SMILES for N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane is C.CC(C)CN1CCC(Oc2ccc(C(=O)Nc3ccccc3N)cc2)CC1.
What is the InChIKey of N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane?
The InChIKey is RCQABSUKSULQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.CH4/c1-16(2)15-25-13-11-19(12-14-25)27-18-9-7-17(8-10-18)22(26)24-21-6-4-3-5-20(21)23;/h3-10,16,19H,11-15,23H2,1-2H3,(H,24,26);1H4.
What are the key properties of N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane?
N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane has a molecular weight of 383.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane is sourced from PubChem (CID 160587911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).